data_1u3n_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 1u3n _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 ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -79.62 170.74 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 10.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.32 -175.99 14.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 3.0 t-160 58.01 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 10.0 109.57 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 37.2 m80 -149.74 168.82 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.526 ' HB ' ' CA ' ' A' ' 187' ' ' GLY . 4.3 m -90.06 104.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 10.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -110.13 99.22 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 10.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 1.5 p -129.6 153.18 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 10.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.524 HD21 ' N ' ' A' ' 49' ' ' ASN . 1.3 m-80 -129.19 145.23 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.56 68.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -119.6 -40.48 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 10.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -44.35 -39.18 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 10.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 7.3 tptt 88.25 -13.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 10.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -55.46 145.37 22.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.434 ' CG2' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -155.63 27.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -73.26 -134.48 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 10.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 174.44 162.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 10.0 110.984 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 13.7 mm -86.51 84.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -86.6 93.38 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 10.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.46 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 2.3 pt -96.51 129.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -128.57 72.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 10.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.7 pp20? -31.02 137.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -145.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 10.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.06 80.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.55 -79.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -155.09 155.86 34.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 10.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' CA ' ' HB1' ' A' ' 142' ' ' ALA . . . 45.82 -100.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 10.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 139' ' ' ILE . 0.3 OUTLIER -145.38 173.68 11.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 10.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -156.09 37.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.536 ' O ' ' CG2' ' A' ' 139' ' ' ILE . 0.3 OUTLIER -84.18 171.31 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 10.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 8.5 t-80 -121.43 63.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -85.83 92.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 10.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 p -155.04 124.15 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 134' ' ' GLY . . . -82.66 172.92 12.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' SER . 24.7 p30 -155.56 -173.28 4.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 20.9 t 66.25 57.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 10.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' CD2' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.85 -152.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.555 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.73 -57.53 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -74.97 161.23 39.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 10.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 48.32 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 10.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 169' ' ' ALA . . . -97.28 172.51 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 13.8 m -98.13 157.72 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -137.08 61.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 168' ' ' GLN . . . 116.51 175.08 17.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 10.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 21.0 t80 -149.27 169.6 20.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.48 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 m170 -60.6 168.34 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.636 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 87' ' ' ILE . 1.3 pt -52.35 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -155.95 59.75 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 10.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 90' ' ' LYS . 2.4 tt0 -165.56 151.43 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 10.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -100.54 105.83 17.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 10.0 109.259 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA3' ' CG1' ' A' ' 94' ' ' VAL . . . 63.4 149.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 10.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 188' ' ' ALA . 0.3 OUTLIER -83.71 102.95 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.003 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.6 m 47.51 58.77 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 4.8 p -150.09 21.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -157.14 120.54 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -88.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -170.93 102.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -167.43 -63.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.99 89.27 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 10.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m 52.96 92.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.04 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.21 -58.98 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.22 -104.3 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 10.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 38.09 -154.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.51 1.795 . . . . 10.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.23 149.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 10.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.49 147.79 44.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 10.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 147.27 33.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 10.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -82.83 63.3 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 pp -164.3 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 130' ' ' VAL . 0.9 OUTLIER -112.41 59.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 10.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 79' ' ' PRO . 3.7 t 51.55 176.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.44 -5.9 24.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -157.25 26.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 10.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.82 27.8 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 55.84 29.96 55.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 10.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 63.5 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 0.9 OUTLIER -109.32 96.76 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 23.4 p30 -111.06 118.16 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -93.55 110.6 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.555 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -153.19 41.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 9.2 mtp -142.43 105.7 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.6 t30 65.31 119.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 145' ' ' THR . . . -139.23 156.45 72.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 10.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -165.57 68.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 10.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 142' ' ' ALA . 29.8 p -100.55 61.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 145' ' ' THR . 4.5 pp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.504 ' O ' ' CD1' ' A' ' 156' ' ' LEU . 0.3 OUTLIER -132.61 94.55 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -85.82 31.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 156' ' ' LEU . 1.1 pt -103.17 48.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -83.54 96.67 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.61 99.6 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 10.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 74.62 -56.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 10.0 110.249 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -150.29 59.3 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 159' ' ' ASP . . . 2.41 -108.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 10.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -120.53 104.35 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 10.0 109.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -100.31 139.59 35.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 10.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 161' ' ' SER . 33.8 m-85 -148.2 85.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 10.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.557 HG13 ' CD2' ' A' ' 166' ' ' HIS . 5.0 tp -86.92 124.82 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.439 HG23 ' ND2' ' A' ' 49' ' ' ASN . 1.6 mp -100.61 79.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.655 ' HD1' ' N ' ' A' ' 167' ' ' GLU . 0.1 OUTLIER -176.94 176.44 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 10.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.655 ' N ' ' HD1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 77.7 -4.76 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 0.7 OUTLIER -137.78 152.35 49.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 10.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . 174.79 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 10.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 55.3 t0 63.12 34.67 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 171' ' ' ASP . 16.1 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 180' ' ' SER . 6.0 m-20 164.6 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.0 OUTLIER 88.13 20.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 10.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 146.98 102.75 0.31 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 10.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 173.01 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.764 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.527 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.7 ptt85 -65.78 129.83 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.563 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.3 OUTLIER -146.87 -43.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.563 ' N ' HG12 ' A' ' 184' ' ' ILE . 41.5 t -123.42 166.01 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 164' ' ' ILE . 8.6 p -156.12 179.34 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.526 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 177.7 36.61 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.57 1.169 . . . . 10.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . . . -92.99 97.27 10.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 10.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 189' ' ' LEU . 6.3 tt -106.43 76.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 10.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 159' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' O ' ' CD2' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 29.8 p90 44.21 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 111.047 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.64 -99.83 1.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -157.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 177.45 133.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 10.0 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.605 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.5 t -84.4 99.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 pt20 -72.54 95.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 10.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -94.85 88.23 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' ' CG1' ' A' ' 185' ' ' VAL . 7.2 p -117.63 126.88 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.482 ' CA ' HG21 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -91.15 150.16 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -28.46 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.9 mt-10 -129.55 -52.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -37.53 -29.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 10.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.7 tttt 86.74 -41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 10.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 163.58 147.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 2.8 m -86.82 -10.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 146.99 -95.14 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 10.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 167.43 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 10.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 47' ' ' LEU . 10.1 mm -119.48 96.96 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 10.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 10.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 138.2 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -124.74 99.03 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.3 mp0 -34.88 127.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.461 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 22.8 t -113.83 -149.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -173.05 78.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.5 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 pt-20 -146.47 149.7 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.07 -103.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 10.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -142.39 108.95 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 10.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 1.6 t70 -95.03 49.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.505 HG12 ' CD1' ' A' ' 147' ' ' LEU . 0.8 OUTLIER -91.78 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.29 102.21 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -138.31 117.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 10.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -157.13 85.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . . . -177.57 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -110.68 -10.65 14.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.53 ' OG ' ' CA ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -130.39 120.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 10.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -49.07 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.7 ttt180 152.97 -44.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -74.96 64.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.45 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 10.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -64.04 175.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 10.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 6.4 m -112.85 112.44 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 10.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -138.41 133.74 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 10.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.54 132.74 7.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 10.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 -125.93 157.09 38.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 10.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 169.8 121.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 10.0 109.616 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.469 ' HB ' ' CD2' ' A' ' 156' ' ' LEU . 1.5 pt -78.14 73.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -154.66 67.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -178.27 -172.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 136.91 39.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' CA ' ' HB3' ' A' ' 162' ' ' ALA . . . -88.71 117.19 4.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 10.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.93 106.82 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 10.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.0 t -145.66 100.27 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 108.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 96' ' ' PRO . 5.4 p -147.38 151.04 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 1.7 mpt_? -36.67 -55.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 10.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.04 -83.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 10.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 70.52 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.46 -30.23 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 10.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.34 172.4 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 10.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.81 168.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 47.19 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -117.55 -118.73 2.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.13 . . . . 10.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . 37.06 -98.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 10.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 10.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.12 125.14 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 10.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -145.02 73.27 14.71 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 10.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.5 35.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 10.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.34 70.7 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.68 59.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 10.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 130' ' ' VAL . 3.1 pt-20 -91.13 58.88 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.528 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 1.0 OUTLIER 35.03 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.81 61.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 10.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -142.68 15.65 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.26 40.23 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' OG ' ' A' ' 76' ' ' SER . . . 48.12 44.1 25.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 10.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 79.61 9.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 10.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.05 100.66 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -94.32 90.37 6.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 10.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -74.08 104.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 138' ' ' VAL . 3.2 mm -138.12 10.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.7 mtm -156.45 158.34 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.4 OUTLIER 77.3 46.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' A' ' 145' ' ' THR . . . -138.58 116.48 9.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 10.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.41 63.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 142' ' ' ALA . 12.1 p -115.63 39.18 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.43 120.77 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.505 ' CD1' HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -17.98 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.3 p-10 -80.08 54.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 34.6 pt -84.5 -22.28 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 87' ' ' ILE . 4.5 pp -111.15 -40.92 4.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 7.1 t70 -135.89 148.02 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 10.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.28 -15.86 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 10.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.72 -36.99 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 149.61 -110.85 0.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 10.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 156' ' ' LEU . 68.6 m -138.73 175.1 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.407 ' HB3' ' CA ' ' A' ' 91' ' ' GLY . . . -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CE2' ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -146.55 74.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 186' ' ' CYS . 3.3 mt -85.02 133.0 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.544 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.2 mp -83.55 112.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.483 ' HA ' ' CG1' ' A' ' 184' ' ' ILE . 30.1 p-80 -158.47 176.02 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.75 9.39 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 10.0 110.255 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 2.8 mm100 -96.39 175.45 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' OG ' ' A' ' 82' ' ' SER . . . -116.28 96.54 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.99 141.2 47.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 178' ' ' GLY . 4.1 p30 158.03 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 10.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 77.9 p -135.0 61.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 10.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 173.39 78.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 10.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 58.84 156.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 66.77 75.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -135.14 -98.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 10.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.482 HG21 ' CA ' ' A' ' 49' ' ' ASN . 12.2 t -104.77 149.92 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 10.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 164' ' ' ILE . 0.5 OUTLIER -116.65 178.21 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . 160.42 115.16 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 10.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' A' ' 45' ' ' VAL . . . -165.24 177.03 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 10.2 mt 63.23 80.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 163' ' ' PHE . 17.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.495 ' CD2' ' HB2' ' A' ' 61' ' ' LYS . 7.1 m-85 -82.45 -45.92 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.67 82.34 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 10.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m80 50.08 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 10.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 p80 179.07 122.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG1' ' CA ' ' A' ' 187' ' ' GLY . 0.2 OUTLIER -92.47 94.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -50.41 127.82 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 10.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' CG1' ' A' ' 58' ' ' ILE . 3.2 mt -93.6 96.13 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.76 106.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LYS . 5.5 m-80 -82.62 169.39 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.8 11.08 8.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.26 15.68 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.69 -60.21 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 10.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 18.9 tttm -162.34 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 53' ' ' LYS . . . -147.62 141.84 26.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 77' ' ' LEU . 13.2 m -122.69 -1.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -140.55 -153.72 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 10.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 175.54 168.93 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 10.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 ' CG1' HD21 ' A' ' 47' ' ' LEU . 48.8 mm -95.48 72.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 57' ' ' PHE . 3.1 mt-10 -88.54 68.79 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 147' ' ' LEU . 61.2 mt -85.22 121.19 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HB2' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -124.31 94.43 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 51.4 mm-40 -34.07 128.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -98.96 -150.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -175.7 63.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.92 -72.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 40.8 mt-10 -155.4 151.19 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 10.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.97 -148.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 10.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 145' ' ' THR . 0.1 OUTLIER -99.22 105.75 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.52 38.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.562 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.5 pp -91.18 175.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -133.32 99.94 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 10.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.8 pp -131.16 116.51 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 10.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 15.2 m -113.12 170.66 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.059 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 163.44 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 77' ' ' LEU . 16.8 t30 -134.07 -29.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 10.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.419 ' C ' HG23 ' A' ' 55' ' ' VAL . 3.7 t -67.33 58.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 75' ' ' ASN . 4.2 mp -77.81 -71.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.569 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.01 -58.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 10.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.05 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 10.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.83 38.98 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.56 175.38 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 10.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 53.9 m -84.53 136.33 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 83' ' ' LEU . 2.2 mm? -118.23 59.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.49 ' HA3' ' CD2' ' A' ' 125' ' ' LEU . . . -33.44 149.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 10.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -136.78 122.3 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 10.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 30.4 t-80 86.88 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -139.25 -98.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 10.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' GLU . 68.1 t80 -154.79 173.77 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 88' ' ' TYR . 2.0 pt-20 -73.05 91.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 10.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.61 134.52 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.26 75.62 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.72 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 10.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER 72.54 -65.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 71.9 t -38.84 142.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 94' ' ' VAL . 13.7 tpt180 85.07 100.94 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 90.92 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 10.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' GLU . 1.2 m-20 67.78 -153.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 69.45 -59.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -45.65 160.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 10.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -108.05 117.15 33.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.91 -75.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.95 -109.55 0.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 10.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.98 -123.78 25.59 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 10.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.031 -0.827 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.98 162.72 26.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.49 ' CD2' ' HA3' ' A' ' 84' ' ' GLY . 5.3 mp -135.28 62.56 51.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 10.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 5.3 m-20 152.83 144.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER 45.43 74.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 10.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.0 pt-20 -98.71 58.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 79' ' ' PRO . 1.5 t 39.51 -151.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.9 -54.14 2.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 10.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -69.81 -34.61 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.9 OUTLIER 85.11 55.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 10.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 75' ' ' ASN . . . 94.54 74.05 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 55.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 10.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -149.48 90.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 10.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.545 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 15.0 p-10 -136.99 138.05 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 14.6 m 50.3 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.26 100.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -84.38 135.85 34.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' MET . 12.7 t30 82.04 84.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.11 154.8 71.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -167.6 46.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 1.1 p -64.19 88.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 1.2 m -112.75 65.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 110.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 60' ' ' ILE . 5.2 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 10.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 153' ' ' LEU . 45.1 mttt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -37.64 -63.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 24.9 t-20 70.58 20.5 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CD1' ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -139.41 -43.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 155' ' ' ILE . 0.3 OUTLIER -84.87 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' ASP . 37.6 t70 -114.05 87.63 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.478 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 0.7 OUTLIER 59.27 -84.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 157' ' ' ASP . 3.5 m-20 -144.37 54.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -163.33 140.16 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 10.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 3.0 t 155.91 143.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 10.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.435 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -158.6 178.3 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 8.7 m-30 -94.32 118.47 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 10.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.5 118.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.601 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 1.4 mp -96.88 74.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 183' ' ' ARG . 8.0 p-80 -115.43 175.92 5.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 125' ' ' LEU . 0.3 OUTLIER 67.54 24.29 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 10.0 110.339 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.809 ' NE2' HD22 ' A' ' 179' ' ' ASN . 2.9 pt20 -82.69 167.85 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.47 -175.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -65.33 -174.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 171' ' ' ASP . 28.4 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.809 HD22 ' NE2' ' A' ' 168' ' ' GLN . 8.6 t30 33.75 75.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 10.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.85 40.65 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 182' ' ' ALA . . . 131.01 106.71 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 10.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 181' ' ' GLY . . . 161.91 133.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 10.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.453 ' HG3' ' CB ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -63.08 114.97 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 10.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.443 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -125.43 -42.11 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 10.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 10.6 p -100.62 118.03 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 10.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.89 128.96 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 10.0 108.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' ALA . . . -112.3 -48.5 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' GLY . . . 32.67 54.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 55.2 mt -155.59 62.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 161' ' ' SER . 2.1 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -133.16 107.61 8.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 10.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.91 -152.28 7.12 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -72.57 -160.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 10.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.65 95.44 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.617 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 17.6 m -132.68 113.3 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -97.47 91.94 5.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.0 84.42 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 0.5 OUTLIER -136.93 121.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 10.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.551 ' ND2' ' CD2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.04 107.14 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.54 -94.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 10.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -143.24 -11.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -24.79 -57.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 11.4 tptt 172.52 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 83.48 153.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 15.4 m -84.58 -32.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' HB1' ' A' ' 74' ' ' ALA . . . 141.6 -115.31 0.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 10.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -170.13 174.45 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 10.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.403 ' C ' ' HG2' ' A' ' 59' ' ' GLU . 21.0 mm -114.13 119.36 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 31.9 mm-40 -149.22 85.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -100.07 175.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -140.3 109.3 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 10.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.33 144.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 10.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -132.36 -149.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -150.77 66.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.26 -70.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.7 tt0 -145.06 -154.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.29 130.12 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 10.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 147' ' ' LEU . 4.9 mp -85.5 84.13 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' HA ' ' CG2' ' A' ' 60' ' ' ILE . 7.3 m-20 -160.42 52.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.592 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 20.4 mm -84.25 56.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.3 m170 154.97 59.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 HG22 ' CG2' ' A' ' 60' ' ' ILE . 1.8 pp -114.51 68.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 10.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.564 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 48.2 p -83.04 176.19 9.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 88.47 57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 128' ' ' LEU . 2.1 m-20 -121.81 -15.73 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.4 OUTLIER -145.67 108.11 4.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 10.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.551 ' CD2' ' ND2' ' A' ' 49' ' ' ASN . 1.2 mp -49.46 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 161.11 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.05 58.84 5.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 10.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 34.11 70.33 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -103.61 175.99 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 10.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 168' ' ' GLN . 16.6 m -121.03 126.11 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -114.7 138.58 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.61 -155.1 24.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 10.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 15.5 p90 -177.77 97.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER 177.02 116.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 109.589 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 161' ' ' SER . 1.1 tp -81.2 149.52 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -84.27 170.05 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 10.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -114.42 -17.71 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 10.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -105.24 27.62 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 161' ' ' SER . . . 70.77 160.11 3.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 10.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' HB1' ' A' ' 162' ' ' ALA . 1.4 t -83.92 98.18 9.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 10.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.3 m 52.07 64.45 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 108.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -148.65 115.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 63.31 86.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 10.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 10.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -175.13 61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 22.3 p90 -127.46 78.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.16 59.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 10.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.5 m 59.0 104.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 10.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.09 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -81.25 -120.95 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.1 . . . . 10.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.19 178.52 52.43 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -166.77 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 10.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 68.08 111.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . 1.2 pp -84.27 113.61 49.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -75.05 163.16 35.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.408 1.741 . . . . 10.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.45 67.29 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 10.0 109.268 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.505 ' CD2' ' ND2' ' A' ' 75' ' ' ASN . 1.1 mt -109.59 58.33 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 10.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -84.97 92.38 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 129' ' ' GLU . 79.3 t -32.1 140.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 10.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.08 -32.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 10.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -112.37 -62.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 10.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 149.6 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 10.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' SER . . . 72.61 62.79 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -82.57 59.34 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 10.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -134.14 126.48 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 0.1 OUTLIER -168.48 56.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.544 ' CG1' ' N ' ' A' ' 139' ' ' ILE . 2.3 t -167.79 166.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -134.28 76.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 10.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 19.05 3.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -170.66 83.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 10.0 109.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.77 123.09 18.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 10.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -178.77 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.6 p -94.97 64.35 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 152' ' ' LYS . 9.9 m -87.45 117.08 26.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 10.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.441 HD13 ' CG1' ' A' ' 60' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 146' ' ' SER . 40.2 mmtt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.4 pp -81.79 54.22 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.78 10.48 15.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 10.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.01 -31.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.55 58.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 158' ' ' GLU . 3.6 t0 -133.9 -87.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 157' ' ' ASP . 0.8 OUTLIER -55.16 -29.17 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.46 47.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 10.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -112.83 -155.3 12.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.134 . . . . 10.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.6 t 158.19 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 10.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . -83.4 174.9 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.36 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.6 pt -122.44 139.8 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 2.6 mp -117.53 94.28 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.566 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 1.1 p80 -144.36 177.7 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' CG ' ' A' ' 168' ' ' GLN . 0.2 OUTLIER 76.54 -0.16 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -153.07 173.05 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.407 ' C ' ' HB2' ' A' ' 180' ' ' SER . . . 68.66 87.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -93.89 174.2 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 10.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 10.0 109.326 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.1 t-20 170.05 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.4 t 81.44 42.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . -158.16 102.43 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.45 ' C ' ' ND1' ' A' ' 166' ' ' HIS . . . 52.83 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 10.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.566 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.4 mtm-85 -50.76 126.92 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 10.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.46 HD11 ' N ' ' A' ' 185' ' ' VAL . 2.5 pp -127.73 -42.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 165' ' ' ILE . 4.3 p -119.82 134.17 64.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 10.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.61 143.56 19.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -90.64 -118.69 2.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 10.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 172.11 83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.513 ' O ' ' CD1' ' A' ' 189' ' ' LEU . 0.2 OUTLIER -135.71 105.86 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.5 t80 -166.53 172.16 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 83.62 146.2 6.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 10.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 178.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 10.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 5.5 p80 -176.65 152.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 10.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.495 ' CG2' ' HA2' ' A' ' 187' ' ' GLY . 12.5 p -99.01 118.82 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -67.23 99.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 45' ' ' VAL . 14.4 mt -84.76 88.48 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 10.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 9.4 p -114.71 139.99 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.666 HD21 ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -110.74 164.37 12.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -54.88 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.4 mm-40 -108.01 -47.71 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -28.98 -47.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 10.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 87.05 -29.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 10.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' C ' HG12 ' A' ' 55' ' ' VAL . . . -176.35 162.55 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 10.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ASN . 31.5 m -151.49 20.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.33 -151.01 17.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 10.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -178.82 175.21 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 10.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 7.1 mm -116.94 96.81 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 2.5 mt-10 -138.19 121.64 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 10.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 147' ' ' LEU . 2.7 mt -109.18 142.33 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.98 85.24 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 10.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.82 124.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -147.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -156.13 63.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -135.8 -166.7 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.86 139.0 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 10.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.597 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -86.17 96.48 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 10.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.84 49.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.708 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 14.0 mm -87.21 53.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.708 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 m170 149.58 57.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.0 pp -118.35 57.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.42 176.72 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' C ' ' ND2' ' A' ' 75' ' ' ASN . . . -147.09 57.71 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.515 ' O ' ' O ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -157.44 151.26 24.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' ASN . 0.2 OUTLIER 166.31 55.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 109.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 83' ' ' LEU . 2.8 mp -107.79 -96.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.5 mtt180 160.22 -50.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 10.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.0 Cg_endo -75.04 52.62 3.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 10.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.23 38.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 10.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -63.19 159.96 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.546 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 10.2 m -100.51 128.07 46.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 10.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -122.34 92.05 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.28 128.42 44.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 86' ' ' HIS . 2.1 t80 -125.63 170.61 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 173.21 174.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.581 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.5 mm -95.6 -39.23 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.451 ' N ' ' HB2' ' A' ' 162' ' ' ALA . 24.7 p90 -151.99 152.15 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -82.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.57 48.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.18 165.67 41.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 10.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HB1' ' A' ' 188' ' ' ALA . 3.1 t -84.82 125.17 32.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 127.51 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.36 -49.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 10.0 109.36 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -65.73 157.26 80.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 121.22 6.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 128.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' SER . 3.4 t80 -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 10.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.9 80.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 10.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' PHE . 80.7 p -177.08 151.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.47 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.75 -105.83 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.5 -173.77 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 10.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.01 123.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 10.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.41 130.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 125' ' ' LEU . 18.1 Cg_endo -75.02 170.95 19.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 10.0 110.983 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -92.96 59.85 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.427 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 4.7 mt -129.47 59.06 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 4.0 pt-20 -94.85 62.56 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' GLU . 1.5 t 38.56 -147.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 86.83 -66.57 3.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 10.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -65.33 -38.72 90.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 9.5 m-20 149.41 -14.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.515 ' O ' ' O ' ' A' ' 75' ' ' ASN . . . 87.25 19.55 54.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 10.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -114.93 83.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 10.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.427 ' HB ' ' CD2' ' A' ' 128' ' ' LEU . 0.9 OUTLIER -110.77 117.19 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.24 128.72 54.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 10.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 2.6 m -111.89 107.88 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.2 OUTLIER -141.48 35.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 141' ' ' ASN . 3.4 ptt? -100.88 126.79 47.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 140' ' ' MET . 1.8 t30 41.28 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 145' ' ' THR . . . -111.46 145.82 33.36 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 10.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.91 59.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.421 HG23 ' CB ' ' A' ' 142' ' ' ALA . 46.0 p -53.61 96.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.15 70.46 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 10.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 153' ' ' LEU . 16.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' LEU . 14.4 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -38.33 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 12.8 t30 66.16 10.6 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.24 -24.92 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 155' ' ' ILE . 2.7 mm? -86.57 -162.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 159' ' ' ASP . 19.7 t70 -85.39 74.78 10.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 64.06 -78.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 10.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 157' ' ' ASP . 2.7 p-10 -141.9 50.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 156' ' ' LEU . . . -170.62 -136.97 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 10.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.607 ' OG ' ' CZ ' ' A' ' 163' ' ' PHE . 0.1 OUTLIER -162.0 -171.13 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 10.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -148.83 109.18 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CZ ' ' OG ' ' A' ' 161' ' ' SER . 21.5 m-85 -148.21 81.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.4 HD12 ' CE1' ' A' ' 166' ' ' HIS . 2.2 pt -92.22 125.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -118.53 71.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 10.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 4.0 p-80 -136.7 176.9 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 80.05 -11.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 10.0 110.334 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 37.0 mm-40 -142.37 176.07 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . 58.92 -173.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 5.3 t0 80.36 146.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 180' ' ' SER . 16.5 t-20 -42.83 -47.87 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER 83.94 -10.99 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 10.0 109.969 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 64.52 -74.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 183' ' ' ARG . . . 58.21 113.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 182' ' ' ALA . 10.6 ttm180 33.24 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -135.57 -57.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 9.5 p -104.05 154.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 144.3 21.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 108.34 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.495 ' HA2' ' CG2' ' A' ' 45' ' ' VAL . . . -101.96 -115.73 4.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 10.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . 75.53 175.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 10.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 190' ' ' LEU . 5.7 mt 65.54 67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -47.75 -72.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 10.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.81 102.28 1.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.119 . . . . 10.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -97.1 100.1 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 10.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 45' ' ' VAL . 79.1 m80 -144.72 57.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 10.0 109.532 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 187' ' ' GLY . 3.6 t -142.25 76.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.58 106.41 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 10.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HA ' ' CG2' ' A' ' 185' ' ' VAL . 0.5 OUTLIER -101.21 87.12 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 185' ' ' VAL . 5.7 t -125.39 100.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 10.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.441 ' HB3' ' CG1' ' A' ' 185' ' ' VAL . 18.5 p30 -84.93 170.65 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -91.37 37.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' OE2' ' CB ' ' A' ' 169' ' ' ALA . 91.8 mt-10 -114.32 -77.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.26 -73.97 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 10.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.06 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 10.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.56 146.17 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.409 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 11.4 m -84.92 -21.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.41 -129.14 2.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -172.34 160.84 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 10.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' CG2' ' A' ' 72' ' ' ILE . 21.2 mm -122.85 122.93 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.5 mt-10 -129.66 125.29 35.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.501 ' HB ' ' CD1' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -111.37 145.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -176.07 56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.2 pt-20 -32.45 121.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 10.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -55.19 -56.02 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 10.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.72 -49.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.3 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -97.28 174.83 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' N ' ' HG1' ' A' ' 145' ' ' THR . . . -57.47 84.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 10.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 1.7 mm? -114.86 -14.7 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 10.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.479 ' N ' HG21 ' A' ' 139' ' ' ILE . 6.1 t70 -156.91 24.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.546 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -85.02 146.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CD2' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -127.76 68.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.49 ' CG2' HG21 ' A' ' 58' ' ' ILE . 1.2 pp -105.76 68.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 10.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.43 ' HB2' ' N ' ' A' ' 136' ' ' VAL . 27.8 p -147.85 151.96 36.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -115.38 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -12.32 30.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.513 ' HA ' ' CD2' ' A' ' 83' ' ' LEU . 30.4 t 59.36 57.78 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 1.1 mt 46.01 -92.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 157.76 -51.21 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 10.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 88.98 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.73 68.26 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 10.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 129' ' ' GLU . . . -67.88 159.53 30.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 10.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 50.6 m -132.28 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 10.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.647 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.43 137.54 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.81 -44.44 7.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER 60.69 173.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 10.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.32 106.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -150.58 152.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 87' ' ' ILE . 15.0 m-85 -160.55 58.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 10.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER 167.11 47.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' CB ' HD11 ' A' ' 164' ' ' ILE . 12.1 mmmt -139.83 148.99 42.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' CA ' ' HG ' ' A' ' 189' ' ' LEU . . . 175.5 -38.7 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 10.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -85.92 99.61 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 10.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.59 156.73 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 10.0 108.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 4.1 p 41.43 43.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -145.09 146.14 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.76 135.69 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -141.17 77.18 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.64 -75.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 10.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.7 t -165.7 94.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.3 -45.33 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.06 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 10.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.91 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 10.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 10.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.84 153.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mt -124.38 155.05 69.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.41 20.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 10.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.46 66.1 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -136.31 62.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.492 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -153.35 64.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 10.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.585 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.9 OUTLIER -153.64 -156.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 10.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.585 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -48.75 -85.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 10.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.24 38.18 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 10.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.474 ' HB2' HG23 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -72.33 -17.84 61.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -85.43 -1.55 87.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 10.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 58.03 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 10.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.4 t -108.98 91.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 71' ' ' HIS . 3.3 m-20 -109.77 116.79 32.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 10.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -91.66 93.22 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -123.25 8.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.55 107.4 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 69.85 55.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.6 173.11 7.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -75.08 -42.44 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 1.4 m-20 154.74 69.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 10.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.434 ' HG1' ' N ' ' A' ' 67' ' ' GLY . 17.9 p -76.94 54.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 152' ' ' LYS . 4.5 m -76.85 112.83 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.501 ' CD1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 146' ' ' SER . 4.9 ttmt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.85 89.83 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -107.63 30.34 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -7.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.465 ' CB ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.09 -163.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.55 176.53 8.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 10.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -25.5 26.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 10.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.54 -52.24 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 166.07 -141.67 7.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.152 . . . . 10.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.1 p 158.6 144.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 10.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -158.41 175.45 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 10.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 61.6 m-85 -83.18 95.63 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 10.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.695 ' CG2' ' CE1' ' A' ' 166' ' ' HIS . 1.8 mp -84.32 144.62 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 185' ' ' VAL . 1.3 mp -116.25 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.695 ' CE1' ' CG2' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -147.4 173.79 12.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 10.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 79.4 -25.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 10.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 5.6 mt-30 -131.5 161.57 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 180' ' ' SER . . . -141.31 -90.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.78 37.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 10.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -94.06 32.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 10.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 169' ' ' ALA . 15.5 p -95.67 49.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -119.84 95.59 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 10.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 181' ' ' GLY . . . -36.28 154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.6 OUTLIER 79.92 58.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.355 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -130.45 -44.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -135.61 144.76 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 10.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.47 137.13 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 108.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.5 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . -114.95 13.97 19.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 162' ' ' ALA . . . -49.21 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 10.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.415 ' HG ' ' CA ' ' A' ' 91' ' ' GLY . 11.7 mt 57.51 60.93 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 10.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 161' ' ' SER . 29.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 59' ' ' GLU . 12.0 p90 -68.62 59.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -36.87 -68.74 0.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -43.72 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 10.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -170.8 160.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 10.0 109.588 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG1' ' HA2' ' A' ' 187' ' ' GLY . 42.9 t -140.17 138.67 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 10.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.24 105.41 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 10.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.505 HD21 ' CG1' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -83.41 96.89 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' HG23 ' A' ' 185' ' ' VAL . 1.1 t -103.82 122.75 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.552 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.93 166.94 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -60.66 -51.3 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 10.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -118.83 -37.21 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -46.8 -35.11 7.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 10.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.8 tptt 91.94 -22.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 10.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . 179.45 141.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 10.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.552 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -106.34 21.91 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 116.71 -138.91 14.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 73' ' ' SER . 5.3 p90 -157.76 160.41 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 10.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.505 ' CG1' HD21 ' A' ' 47' ' ' LEU . 17.9 mm -105.88 137.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 41' ' ' PHE . 24.8 mt-10 -149.56 70.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' A' ' 70' ' ' ILE . 63.3 mt -87.66 106.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -105.89 84.66 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.6 mp0 -30.84 127.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 10.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 13.1 t -103.34 -148.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.29 77.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.95 -82.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 10.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -155.59 157.0 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 145' ' ' THR . . . 42.17 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 138' ' ' VAL . 4.4 pp -153.5 159.35 42.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 12.2 t0 -156.97 39.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.512 HG23 ' CG2' ' A' ' 60' ' ' ILE . 0.4 OUTLIER -84.52 172.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -114.94 66.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.9 121.88 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.501 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -80.3 176.42 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.03 -10.26 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.669 ' O ' ' N ' ' A' ' 78' ' ' ARG . 29.1 t 45.82 56.79 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 10.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 11.1 mt 39.61 -86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 162.11 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.99 58.82 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 10.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.47 57.75 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.555 1.159 . . . . 10.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -94.13 155.9 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 63.3 m -83.07 92.33 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 10.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.502 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 2.5 mm? -98.56 87.71 3.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 148.53 168.58 14.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 10.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' HIS . 1.4 t80 177.17 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 10.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' PHE . 12.5 t-80 58.13 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 10.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 163' ' ' PHE . 0.4 OUTLIER -61.76 -158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 161' ' ' SER . 2.9 p90 -86.19 175.12 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.11 -55.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 10.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 99.4 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.24 163.8 6.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 10.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -96.24 -154.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 m -96.86 85.6 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.09 30.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 10.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.54 146.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 10.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -173.76 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.03 108.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.3 175.44 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 10.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.93 -63.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.31 -75.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.96 -109.55 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 10.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.71 83.97 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 10.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.978 -0.849 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.49 159.49 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.53 143.76 18.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 10.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.82 59.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 16.4 mt -146.47 65.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.3 pt-20 -84.0 56.55 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 1.5 t 31.65 -144.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.96 -36.18 3.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 10.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -125.2 3.58 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 76.9 65.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 10.0 109.364 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.512 ' N ' ' CB ' ' A' ' 76' ' ' SER . . . 40.69 26.95 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' ASP . 12.4 mtpt -88.83 62.97 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 10.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -112.38 161.61 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 0.8 OUTLIER -139.53 89.96 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 10.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 9.8 m -80.08 117.09 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 32.0 mm -114.0 -116.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.92 101.93 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 10.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.93 40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 10.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.495 ' CB ' HD22 ' A' ' 68' ' ' LEU . . . -115.79 166.8 11.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 10.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -158.35 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.5 p -117.99 48.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 10.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 145' ' ' THR . 3.2 pp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.458 ' O ' ' CA ' ' A' ' 147' ' ' LEU . 19.8 mttm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -113.08 -18.9 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 10.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 2.4 t30 68.17 2.53 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.43 ' O ' ' OG ' ' A' ' 161' ' ' SER . 5.6 pt -136.38 45.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 105.0 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' GLU . 4.7 t70 -83.63 175.38 9.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' ASP . 4.2 mt-10 -37.38 -58.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 189' ' ' LEU . 9.2 m-20 -85.74 -54.75 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 174.79 -122.66 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 10.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.553 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 2.3 p 157.36 131.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 10.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.482 ' N ' ' HA ' ' A' ' 188' ' ' ALA . . . -156.68 -179.73 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.562 ' CD1' HD13 ' A' ' 87' ' ' ILE . 32.7 m-85 -82.31 118.23 22.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.22 136.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.518 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 1.4 mp -121.4 118.95 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 13.7 p-80 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 10.0 109.579 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.41 25.06 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.432 ' HG3' ' CB ' ' A' ' 180' ' ' SER . 0.8 OUTLIER -81.42 176.96 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 10.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -133.46 -177.08 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.06 127.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 7.7 m120 41.16 70.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 168' ' ' GLN . 0.1 OUTLIER -175.16 73.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.66 25.73 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 10.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -178.3 175.58 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 10.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.509 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 4.0 mtp180 -57.66 124.26 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -119.41 -72.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.518 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 6.4 p -99.97 139.73 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 28.0 p -158.41 153.17 24.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 10.0 108.317 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 188' ' ' ALA . . . -108.12 -74.98 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 10.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.581 ' C ' ' O ' ' A' ' 187' ' ' GLY . . . 25.5 53.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 188' ' ' ALA . 77.7 mt -158.66 59.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 161' ' ' SER . 28.8 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.84 97.3 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.31 -169.79 14.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 18.2 t-160 -106.07 -84.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -167.42 85.11 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 10.0 109.566 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 187' ' ' GLY . 19.4 m -139.51 96.0 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.67 112.65 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -83.83 82.29 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 54.4 t -110.25 130.35 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 164.25 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 179' ' ' ASN . 60.4 mtt180 -84.33 46.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 10.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -124.16 -57.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.19 -77.85 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.508 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 6.0 m -85.42 -24.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 10.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 154.23 -109.5 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 10.0 111.035 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CD2' ' CG ' ' A' ' 59' ' ' GLU . 13.4 t80 -175.2 156.62 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 10.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 mm -90.04 97.13 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 57' ' ' PHE . 25.5 mt-10 -111.47 69.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG2' HG21 ' A' ' 72' ' ' ILE . 11.5 pt -82.95 150.47 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -134.28 112.97 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -28.48 140.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -80.34 -171.24 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.94 30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.77 -76.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -153.47 173.47 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 10.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.12 -142.86 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.76 105.56 14.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 10.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 9.5 t70 -95.28 41.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.5 pp -83.67 175.55 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -131.67 101.16 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 10.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.482 HG21 ' CG2' ' A' ' 60' ' ' ILE . 2.3 pp -135.14 134.09 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.79 63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -153.07 104.36 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 10.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.443 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 60.1 m-80 -156.78 -39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.527 ' CB ' HD12 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -151.08 109.75 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.994 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 52.6 mt -76.49 42.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.822 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 67.56 40.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 110.242 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.822 ' HD3' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -74.96 -32.04 5.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.51 43.08 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 10.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 130' ' ' VAL . . . -136.45 179.4 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -81.39 159.91 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD12 ' CB ' ' A' ' 76' ' ' SER . 2.3 mm? -131.72 106.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' N ' ' NE2' ' A' ' 168' ' ' GLN . . . -85.96 106.3 3.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -128.97 67.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 10.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.75 146.29 30.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.556 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.78 120.51 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 10.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 t80 -154.6 94.61 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 10.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 12.0 pt-20 38.5 53.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -133.23 170.5 15.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.19 140.78 2.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -154.22 -171.57 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' SER . 3.8 m 87.59 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.4 t -110.45 50.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 8.1 mmt180 -155.83 102.23 2.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 10.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -170.07 146.47 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 10.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -138.85 43.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -91.51 166.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 10.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 106.98 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.76 82.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.84 159.3 8.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 10.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.13 -145.89 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.36 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 10.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 23.2 t0 80.82 126.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 10.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.16 156.63 50.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 68.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 126' ' ' PRO . 51.8 m-20 36.91 58.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.495 ' CD1' HG13 ' A' ' 136' ' ' VAL . 14.6 mt -120.91 60.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.578 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.4 pt-20 -84.73 52.1 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 10.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 129' ' ' GLU . 4.1 p 25.23 -142.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.562 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 76.63 -53.6 3.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -71.19 -69.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.0 OUTLIER 154.94 51.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 10.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 45.53 40.72 8.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 10.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 96.81 8.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.495 HG13 ' CD1' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -109.42 59.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.545 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 18.5 p-10 -56.2 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 14.1 m 50.42 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -136.81 136.77 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 10.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 141' ' ' ASN . 4.2 mmt -124.52 93.74 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 140' ' ' MET . 13.9 t-20 163.29 64.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -154.73 145.55 16.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.38 50.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 155' ' ' ILE . 6.1 p -85.19 70.84 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 118.69 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 153' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.5 pp -79.99 49.09 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.33 18.15 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 145' ' ' THR . 0.0 OUTLIER -108.24 -21.4 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 155' ' ' ILE . 5.3 mt -83.98 -138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 160' ' ' GLY . 4.0 t70 -102.0 99.28 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 53.52 -95.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 190' ' ' LEU . 2.1 m-20 -119.68 -4.54 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -122.48 -161.9 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.56 -169.25 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 10.0 109.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 90' ' ' LYS . . . -155.5 107.98 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.599 ' CE1' ' CB ' ' A' ' 188' ' ' ALA . 19.0 p90 -157.25 60.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.84 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 185' ' ' VAL . 2.2 mp -107.08 77.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.414 ' O ' ' OE1' ' A' ' 168' ' ' GLN . 2.1 p80 -129.14 176.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 10.0 109.637 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 168' ' ' GLN . 4.2 mt-10 61.49 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 10.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.46 ' NE2' ' N ' ' A' ' 84' ' ' GLY . 1.7 mm100 -94.27 175.7 6.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.65 -172.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 180' ' ' SER . 9.3 p-10 -107.4 -173.5 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' ' ND2' ' A' ' 179' ' ' ASN . 6.8 p-10 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 10.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 50' ' ' ARG . 1.2 m-20 -83.31 53.83 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 170' ' ' ASP . 89.4 p -154.17 73.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 10.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 158.99 133.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 71.93 175.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 10.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 137.74 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -134.6 -45.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 8.1 p -116.39 152.89 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.4 147.73 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 108.278 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 172.47 49.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 10.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.599 ' CB ' ' CE1' ' A' ' 163' ' ' PHE . . . -127.11 66.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.33 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 10.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 159' ' ' ASP . 12.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.93 -52.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.07 -142.17 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 10.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 169.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 10.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -173.07 144.4 1.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG1' ' HA2' ' A' ' 187' ' ' GLY . 10.5 t -110.31 62.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 6.1 pt20 -37.84 139.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 10.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CD2' ' HA3' ' A' ' 187' ' ' GLY . 6.5 mt -91.34 93.61 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.545 ' HA ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 m -94.9 91.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.489 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -106.07 148.18 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.615 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 58.44 128.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' CB ' ' NE ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 34.38 31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 34.44 37.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 10.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' HB2' ' NH2' ' A' ' 50' ' ' ARG . 14.0 tptm -78.2 -41.16 35.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 10.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 48' ' ' VAL . . . 60.38 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 10.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 77' ' ' LEU . 5.2 m -114.15 5.24 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.562 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -144.04 -153.02 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 161.32 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 190' ' ' LEU . 0.8 OUTLIER -106.59 99.61 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' OE2' ' CG ' ' A' ' 57' ' ' PHE . 2.6 mt-10 -151.17 88.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 10.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -109.16 153.74 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' CD ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -175.48 58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.7 mt-10 -137.49 -107.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.87 161.86 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 110.018 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 147' ' ' LEU . 4.7 p30 -155.41 58.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.52 -75.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 10.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.94 129.83 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 10.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 142' ' ' ALA . . . 38.09 82.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 10.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.526 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -84.78 -164.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -149.69 55.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.63 176.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -108.37 88.41 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 10.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 70' ' ' ILE . 1.9 pp -138.51 102.56 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 107.0 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . . . -142.02 81.06 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 10.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HB2' ' CA ' ' A' ' 134' ' ' GLY . 72.5 m-20 -158.79 -42.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.475 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.3 OUTLIER -74.47 59.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 10.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -45.54 -92.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 10.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.84 -57.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.03 54.02 3.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.96 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 10.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -72.96 156.21 39.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 10.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.3 m -90.74 132.12 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 10.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -101.24 125.12 47.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' LEU . . . -52.79 -167.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 10.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 88' ' ' TYR . 5.4 p90 -81.78 171.19 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 10.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' ILE . 37.2 m80 -137.79 159.09 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 10.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' HIS . 1.9 mp 38.96 54.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 10.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -105.03 114.89 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 10.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 44.86 -93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -118.74 -168.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.01 -160.72 28.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.25 167.19 31.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 10.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.93 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 10.0 108.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.9 t 65.08 50.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 10.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -164.47 111.96 0.89 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -78.44 -178.23 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' ASP . 8.9 m-85 37.65 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.16 -61.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 p -160.95 164.67 30.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.49 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 10.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.22 -127.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 10.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.6 -170.58 13.59 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -79.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 10.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 109.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.81 153.24 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.416 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 18.2 Cg_endo -74.98 166.37 29.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 10.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -100.31 175.76 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mp 76.47 119.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 10.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.34 60.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 1.4 t 48.18 -149.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 58.88 29.74 65.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 10.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 88.3 -13.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 10.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.84 -2.27 14.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -120.42 0.35 12.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.99 66.49 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 99.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 138' ' ' VAL . 11.3 p-10 -140.85 154.58 46.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 137' ' ' ASP . 13.8 m 46.48 102.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.73 154.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtm -136.82 21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m120 164.32 68.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.509 ' CB ' ' CD ' ' A' ' 143' ' ' PRO . . . -84.68 -178.64 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.96 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 10.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 t70 176.56 61.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.1 p -76.25 69.29 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 10.0 110.408 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -83.61 83.89 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 153' ' ' LEU . 11.7 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 2.9 pp -67.23 68.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 152' ' ' LYS . 44.1 t30 -85.0 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -109.59 -21.12 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 10.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 157' ' ' ASP . 3.0 pp -116.04 -158.6 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 156' ' ' LEU . 24.2 t70 -83.71 151.98 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -47.62 -23.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -84.77 -67.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -170.49 -165.73 28.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 10.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 17.9 p -53.9 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 10.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -141.93 106.47 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 17.3 m-85 -146.18 78.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.5 mm -97.18 129.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 10.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.07 124.17 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -155.58 178.46 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.562 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 82.33 -16.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 28.3 mt-30 -156.23 176.98 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 50' ' ' ARG . . . 73.27 113.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 10.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.476 ' N ' ' HA ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -78.48 154.47 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 10.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 170' ' ' ASP . 3.1 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.3 p-10 -141.08 108.66 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 10.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 t 90.23 52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 152.27 132.53 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 67.55 174.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.454 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 7.2 ttm180 -52.15 129.9 28.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 185' ' ' VAL . 1.6 pp -137.33 -53.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 184' ' ' ILE . 6.2 p -109.16 130.68 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.45 172.26 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 10.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.494 ' HA2' ' CG1' ' A' ' 45' ' ' VAL . . . 152.69 133.99 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 10.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.412 ' HB3' ' CA ' ' A' ' 162' ' ' ALA . . . 179.34 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 45' ' ' VAL . 24.5 mt -134.3 69.62 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 49.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 10.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -151.74 -175.32 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.04 135.17 8.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 2.1 m80 -87.5 -32.88 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 10.0 109.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 63.04 148.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 10.0 109.624 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -102.62 176.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -98.87 99.88 11.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 10.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CD2' ' CG1' ' A' ' 45' ' ' VAL . 1.2 mt -98.33 86.68 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 7.0 t -115.21 120.64 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.657 HD21 ' N ' ' A' ' 49' ' ' ASN . 1.1 m-80 -105.06 168.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.08 31.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' GLY . 3.0 pp20? -95.73 -43.14 8.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 51' ' ' GLU . . . -146.98 -57.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -178.25 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 10.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -142.9 166.28 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 74' ' ' ALA . 14.6 m -133.79 -1.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' HA3' ' N ' ' A' ' 75' ' ' ASN . . . 136.63 -153.05 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 51.1 m-85 -157.11 175.45 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 10.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 20.9 mm -111.89 90.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -112.82 99.76 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 10.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 HG23 ' CG2' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -99.43 152.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -133.84 108.9 8.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -35.15 140.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 10.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 69' ' ' ASP . 9.5 t -103.12 -155.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.48 39.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -85.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -104.05 -157.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 10.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -40.31 -71.61 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 10.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -156.29 148.57 23.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 10.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' OG ' ' A' ' 63' ' ' SER . 20.3 p-10 -139.32 48.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.589 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.2 pp -82.22 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -126.11 80.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 10.0 109.578 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 85' ' ' PHE . 2.3 pp -109.91 95.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.485 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 8.0 p -125.8 90.42 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 10.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -63.27 90.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 133' ' ' ASP . 0.1 OUTLIER -132.5 134.95 45.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 10.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HB2' ' N ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 168.98 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -142.76 -95.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 10.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER 158.65 -56.14 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 10.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 9.44 2.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 10.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 130' ' ' VAL . . . 67.49 -65.3 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . 59.13 175.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.4 m -83.88 105.45 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -106.72 91.49 3.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 10.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.85 156.25 4.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 10.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.51 ' CE1' HD11 ' A' ' 72' ' ' ILE . 1.4 t80 178.16 104.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.56 146.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 10.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -59.95 92.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.32 152.2 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.35 129.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 10.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -92.76 97.38 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 126.6 170.91 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p -97.3 142.91 28.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 10.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -47.17 -48.71 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -64.54 164.79 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 61.17 82.83 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.769 . . . . 10.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p30 176.87 95.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 10.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.32 100.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 10.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.05 126.15 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 10.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.4 p -135.85 161.82 34.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.93 -58.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.25 128.99 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.32 -81.84 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.29 10.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 7.3 t0 81.67 159.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 10.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 156.55 43.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 177.96 7.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 10.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 34.7 m-20 -95.18 59.12 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -122.49 58.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 130' ' ' VAL . 2.5 mm-40 -93.64 64.77 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.545 ' HA ' ' HA3' ' A' ' 80' ' ' GLY . 37.3 t 58.04 157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.28 -103.59 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 10.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.553 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -91.57 32.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 3.9 m-20 86.82 35.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 10.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 83' ' ' LEU . . . 81.08 53.77 3.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.499 ' HG3' ' CB ' ' A' ' 132' ' ' ALA . 53.6 mttt -90.96 93.43 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 10.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 128' ' ' LEU . 1.5 m -136.29 84.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 10.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.522 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 2.8 p-10 -134.7 175.94 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.522 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER 60.19 154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.588 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -128.45 -167.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 10.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.2 mtt -149.8 19.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.6 m-20 156.23 146.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -153.9 149.74 21.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.43 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 10.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.9 t0 176.32 64.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.409 ' OG1' ' CD1' ' A' ' 68' ' ' LEU . 25.3 p -105.65 51.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 10.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -60.81 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 70' ' ' ILE . 3.0 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 10.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 1.3 pp -76.28 56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 154' ' ' ASN . 13.5 t-20 -107.11 22.6 15.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -22.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.508 HD21 ' N ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -90.32 -136.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.508 ' N ' HD21 ' A' ' 156' ' ' LEU . 52.8 t0 -84.76 58.44 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 64.61 -75.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.2 m-20 -137.57 40.98 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.72 24.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 10.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -92.8 -173.4 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 10.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.95 110.48 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 26.2 m-85 -150.09 80.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 pt -84.18 122.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.429 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 1.6 mp -98.78 135.28 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -176.93 175.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.21 17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 10.0 110.247 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 0.6 OUTLIER -83.1 175.48 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 10.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -113.48 129.06 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 6.4 t70 -43.33 -72.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 170' ' ' ASP . 2.2 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 10.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 168' ' ' GLN . 2.7 t30 -179.51 116.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 41.9 t -106.5 15.18 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 10.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 82.65 116.06 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 174.9 145.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 10.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 1.6 ptm180 -39.07 106.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 10.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 185' ' ' VAL . 1.9 pp -136.49 -49.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 13.9 p -112.58 152.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 153.94 30.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 10.0 108.355 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.468 ' CA ' HG13 ' A' ' 45' ' ' VAL . . . -109.49 -91.82 2.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 10.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 55.28 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.3 mt 53.62 81.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.59 170.46 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 10.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.96 152.34 43.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 p80 173.15 -177.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 10.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 72.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.531 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 162' ' ' ALA . 96.2 t -126.31 76.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -93.56 118.43 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -90.19 73.74 7.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 48' ' ' VAL . 4.7 p -99.86 103.19 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 10.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' OD1' ' CG1' ' A' ' 185' ' ' VAL . 3.2 m-80 -94.99 171.54 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 10.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.93 12.3 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.36 -36.2 74.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.15 -45.88 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -141.87 -104.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 10.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . -151.44 170.82 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' HB ' ' CA ' ' A' ' 75' ' ' ASN . 4.4 m -83.37 -13.29 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.92 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 10.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 1.2 p90 177.66 160.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 10.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 47' ' ' LEU . 14.7 mm -115.02 92.32 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 10.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.39 81.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 10.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CG2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -88.45 156.55 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -147.13 116.68 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.2 pp20? -38.03 132.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 10.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 60.4 p -97.59 -165.55 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 10.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -166.76 61.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.15 -71.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 10.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 mp0 -123.78 -168.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 10.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.01 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 10.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' CD1' ' HB ' ' A' ' 139' ' ' ILE . 0.7 OUTLIER -127.71 149.85 50.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 10.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 1.5 m-20 -154.86 39.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 72' ' ' ILE . 2.6 pp -83.38 179.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' HA ' HG12 ' A' ' 138' ' ' VAL . 1.7 t-160 -113.42 108.87 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.572 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.604 ' CG2' ' CD1' ' A' ' 70' ' ' ILE . 2.3 pp -129.56 119.42 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HA ' HG21 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -155.3 100.45 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 10.0 109.998 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -171.29 113.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' CA ' ' HB ' ' A' ' 55' ' ' VAL . 27.5 m-20 -137.3 -173.11 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 130' ' ' VAL . 2.3 m -64.94 113.15 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 10.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' HA ' ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -94.71 37.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 173.57 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 10.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.03 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' HA2' ' CB ' ' A' ' 130' ' ' VAL . . . -65.82 55.73 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 10.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 169' ' ' ALA . . . -112.75 -179.65 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.2 m -79.39 121.58 25.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 10.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 84' ' ' GLY . 3.2 mm? -85.25 72.01 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -27.45 97.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER -117.75 95.93 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 10.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.13 141.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.46 112.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -110.24 121.53 45.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.39 176.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -116.31 148.79 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.1 87.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -120.8 -172.7 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.048 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 m 68.92 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 108.303 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' SER . 17.5 m -102.09 49.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.7 mmt-85 -149.78 87.15 5.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 10.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.91 169.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 10.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -175.77 77.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 19.67 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 10.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.81 177.34 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.69 80.82 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.44 -147.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 10.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.06 151.35 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -77.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 10.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 10.0 110.968 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -131.69 120.09 22.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 0.766 . . . . 10.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 pp -109.83 112.69 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.59 31.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 10.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -74.05 90.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 135' ' ' LYS . 0.3 OUTLIER -172.67 60.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 130' ' ' VAL . 1.2 pt-20 -93.18 54.41 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.529 ' CB ' ' HA2' ' A' ' 80' ' ' GLY . 1.9 t 36.11 -156.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.441 ' H ' ' CG1' ' A' ' 130' ' ' VAL . . . 79.73 -9.34 44.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 10.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 135' ' ' LYS . . . -132.24 6.95 4.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 10.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 6.2 p-10 39.53 61.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 10.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' A' ' 75' ' ' ASN . . . 105.15 69.87 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 10.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.431 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -139.59 175.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.329 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.555 ' O ' ' C ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 173.01 173.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.555 ' C ' ' O ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -27.13 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -84.88 -146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 141' ' ' ASN . 0.4 OUTLIER -149.92 -176.22 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.994 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' MET . 42.5 t-20 -40.6 118.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 145' ' ' THR . . . -108.24 141.42 23.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.555 1.818 . . . . 10.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 143' ' ' PRO . 6.4 t70 31.18 49.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 142' ' ' ALA . 0.8 OUTLIER -132.14 38.13 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 10.0 110.38 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.1 132.8 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 10.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.491 ' CD2' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -82.58 -79.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.3 t-20 80.5 32.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -138.3 -43.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -100.84 -154.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.0 OUTLIER -83.38 118.51 23.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 10.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.576 ' C ' ' O ' ' A' ' 157' ' ' ASP . 27.9 mt-10 -22.67 -55.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 157' ' ' ASP . 97.5 m-20 -127.74 53.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 10.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 157' ' ' ASP . . . -169.55 130.51 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 10.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 0.0 OUTLIER 172.07 103.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 10.0 109.972 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 45' ' ' VAL . . . -158.17 176.12 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 85' ' ' PHE . 22.1 m-85 -93.17 109.56 21.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.407 ' O ' ' O ' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -87.49 117.22 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.38 124.22 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 0.3 OUTLIER -179.58 176.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.62 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 78.21 -7.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.415 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 4.8 mt-30 -143.76 176.18 9.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 10.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 81' ' ' ALA . . . 66.26 93.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.64 111.04 21.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 109.32 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 34.7 t-20 -126.87 -43.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 10.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 31.1 t -91.54 32.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 182' ' ' ALA . . . -145.66 89.08 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 10.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 181' ' ' GLY . . . 78.15 169.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.542 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -71.06 134.89 47.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -131.36 -47.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.476 ' N ' HG12 ' A' ' 184' ' ' ILE . 4.3 p -102.76 129.03 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 147.3 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 10.0 108.274 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 189' ' ' LEU . . . -145.54 16.73 1.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.485 ' C ' ' CD2' ' A' ' 189' ' ' LEU . . . -69.53 61.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 10.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 188' ' ' ALA . 2.9 mm? -140.28 58.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 10.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 161' ' ' SER . 67.2 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -102.56 44.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 59' ' ' GLU . . . -59.79 128.9 47.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 60' ' ' ILE . 24.1 m170 -50.5 175.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 10.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 189' ' ' LEU . 15.7 t60 -96.57 60.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 10.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.05 105.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 131.3 55.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.04 99.0 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 54' ' ' ALA . 2.5 p -109.83 136.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' HA ' ' CG1' ' A' ' 185' ' ' VAL . 15.9 m-80 -89.98 128.48 36.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 10.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CB ' ' OD1' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -38.93 -34.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -107.37 -58.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.08 -47.85 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 10.9 tttm 91.92 8.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.536 ' CB ' ' HA ' ' A' ' 48' ' ' VAL . . . 84.97 133.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 15.3 m -145.04 18.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.567 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -142.92 -152.48 5.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 162.23 169.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 10.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 mm -107.85 107.05 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE2' ' CE1' ' A' ' 57' ' ' PHE . 6.5 mt-10 -121.47 79.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 10.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -83.94 165.78 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 10.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.665 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -148.58 62.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -9.82 109.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -95.2 -169.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 10.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -139.85 80.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.18 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 10.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -127.01 -172.29 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 10.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' C ' HD12 ' A' ' 68' ' ' LEU . . . -44.35 -45.15 8.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 10.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -141.02 145.88 36.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 0.7 OUTLIER -157.43 28.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.4 pp -84.57 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -130.84 96.61 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.621 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.6 pp -123.31 125.91 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.441 ' HB3' ' N ' ' A' ' 136' ' ' VAL . 0.3 OUTLIER -156.35 142.39 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 10.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -105.31 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 11.0 t30 -97.5 -147.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 5.9 mp -45.21 -87.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 78' ' ' ARG . 5.2 mmp_? -113.32 157.25 41.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 10.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.26 41.03 60.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 10.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -82.77 177.73 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 1.5 m -135.6 119.81 17.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 10.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD1' HG22 ' A' ' 165' ' ' ILE . 2.9 mm? -91.92 79.14 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.5 -169.28 42.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 10.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.21 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.61 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.628 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.2 mm -40.79 103.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -119.7 139.06 52.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 pt-20 -105.22 59.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.68 57.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.91 109.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -91.72 139.68 30.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 10.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t 65.86 88.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t 61.09 -178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 43.88 83.19 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 10.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 111.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 10.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.27 30.45 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.49 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m 177.14 102.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.57 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.6 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.13 -84.56 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 10.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.54 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 108.79 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.31 41.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 10.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -84.82 66.2 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 10.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.431 ' HB3' ' CG1' ' A' ' 136' ' ' VAL . 21.2 mt -141.92 59.67 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.07 74.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 81' ' ' ALA . 2.0 t 49.66 -143.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.02 -59.29 3.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 10.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.07 -68.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ALA . 3.2 m-20 176.8 33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 48.93 28.6 7.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 10.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -82.74 84.24 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 10.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.441 ' N ' ' HB3' ' A' ' 73' ' ' SER . 8.6 m -93.39 167.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.4 p-10 -165.88 110.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 5.7 m -108.77 106.33 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -152.76 47.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 3.8 mtt -84.4 124.98 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 10.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 140' ' ' MET . 23.0 t-20 -36.32 98.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.488 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . . . -107.48 161.38 23.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.55 68.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.687 ' O ' ' CB ' ' A' ' 146' ' ' SER . 2.1 p -115.01 55.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.687 ' CB ' ' O ' ' A' ' 145' ' ' THR . 7.8 t 103.49 175.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 10.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.584 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.4 pp -76.27 56.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 154' ' ' ASN . 6.8 p-10 -79.61 7.53 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.6 pt -85.69 23.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.621 ' CD2' ' O ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -80.96 103.7 10.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 10.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.53 -92.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.0 -68.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.17 20.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.12 -131.19 3.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 10.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.5 p 172.66 138.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 10.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -154.42 176.87 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -112.26 135.83 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -104.53 114.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.505 HG22 ' CD1' ' A' ' 83' ' ' LEU . 3.8 mp -90.58 118.69 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.537 ' HD1' ' N ' ' A' ' 183' ' ' ARG . 0.2 OUTLIER -174.77 178.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 109.575 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.7 OUTLIER 78.67 2.76 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 10.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.477 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 1.1 pt20 -84.08 176.89 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.411 ' O ' ' OG ' ' A' ' 180' ' ' SER . . . -76.24 -30.21 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 179' ' ' ASN . 17.3 m-20 57.24 -89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 169' ' ' ALA . 59.1 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.3 m-20 -135.23 -142.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.743 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER 86.92 38.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 150.09 139.82 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 10.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 75.31 158.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 10.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.537 ' N ' ' HD1' ' A' ' 166' ' ' HIS . 3.6 ptm180 -38.65 136.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.523 HD12 ' CG1' ' A' ' 185' ' ' VAL . 1.3 pp -139.58 -61.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.523 ' CG1' HD12 ' A' ' 184' ' ' ILE . 4.3 m -126.25 104.54 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 10.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.43 137.12 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 108.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -98.64 -49.48 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 10.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 162' ' ' ALA . . . 60.19 154.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 10.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 44' ' ' HIS . 11.8 mt 58.64 92.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.285 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.07 108.29 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.03 171.15 44.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.88 -66.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 10.0 109.634 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 73.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 1.4 p -116.67 110.19 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.16 98.68 8.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 10.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -83.66 87.33 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 5.2 t -115.0 140.74 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' OD1' ' CD1' ' A' ' 83' ' ' LEU . 2.8 m-80 -97.46 -12.78 22.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 2.3 ttt-85 82.09 21.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 10.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -115.91 -97.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 10.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.6 -67.96 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 10.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -174.28 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 10.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.439 ' O ' ' CD2' ' A' ' 77' ' ' LEU . . . 170.63 159.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.548 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 22.5 m -85.07 -35.23 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . 159.75 -118.99 0.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 10.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 26.2 t80 178.55 164.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 10.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.644 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 6.0 mm -94.02 77.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 92.26 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.484 ' CG1' HD12 ' A' ' 72' ' ' ILE . 7.3 mt -90.31 129.84 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 10.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -116.73 66.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 10.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -21.98 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -110.55 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.994 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.15 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -138.01 -85.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' GLY . 9.3 mt-10 -150.97 147.44 27.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 142' ' ' ALA . . . 34.19 -108.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 10.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -141.18 106.72 5.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 0.761 . . . . 10.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -106.39 41.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.526 ' CG1' HG12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -98.29 178.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 137' ' ' ASP . 0.3 OUTLIER -109.86 85.41 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 10.0 109.594 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.545 ' CD1' ' CG2' ' A' ' 58' ' ' ILE . 11.0 mm -87.42 76.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.5 p -116.04 157.53 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 161.9 70.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.509 ' N ' ' HB ' ' A' ' 55' ' ' VAL . 26.2 m-20 -161.4 -25.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.472 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.2 OUTLIER -70.35 63.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 10.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.9 mt -59.14 -66.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.584 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -179.83 -59.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.584 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.02 -159.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.15 37.17 3.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 10.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 170' ' ' ASP . . . -80.39 177.17 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.503 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -91.04 122.16 33.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 10.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 77' ' ' LEU . 1.3 mm? -121.64 70.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.63 127.4 42.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 10.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -165.83 156.24 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 0.1 OUTLIER 165.17 175.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.7 mm -115.11 106.25 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -149.56 169.07 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.72 111.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 10.0 110.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.511 ' NZ ' ' H ' ' A' ' 102' ' ' GLY . 5.0 tptp -150.72 -141.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.19 -171.56 31.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 10.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -93.11 130.93 38.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 10.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 89.0 m -49.77 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 108.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 m 41.25 55.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 45.97 95.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.07 -49.66 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 10.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 162.11 -60.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' ' NH2' ' A' ' 183' ' ' ARG . 22.7 t80 -176.07 -49.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 10.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.65 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.5 p -166.99 177.44 6.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.0 102.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.511 ' H ' ' NZ ' ' A' ' 90' ' ' LYS . . . -85.1 -99.98 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 10.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.15 -58.23 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.67 14.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.773 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 10.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.825 . . . . 10.0 111.036 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.3 m-20 61.47 137.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.68 158.53 36.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 10.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 10.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -80.73 58.55 3.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.85 78.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 10.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 2.1 pt-20 -113.97 78.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.52 ' CB ' ' O ' ' A' ' 79' ' ' PRO . 1.8 t 40.01 -148.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 10.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.621 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 62.83 31.33 79.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.123 . . . . 10.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 93.88 -21.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.35 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 63.3 m-20 -50.49 -25.55 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.472 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -74.44 -28.36 63.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 10.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 132' ' ' ALA . 16.5 mmtt -82.18 58.08 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 1.3 t -114.83 164.02 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 10.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.493 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 2.9 p30 -141.99 138.25 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.518 ' CG2' HD11 ' A' ' 70' ' ' ILE . 26.5 m -77.63 99.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -144.78 123.15 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 7.3 mtt -155.0 22.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.3 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.75 157.89 63.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 -41.61 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 143' ' ' PRO . 5.8 m-20 168.89 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 146' ' ' SER . 26.7 p -117.39 60.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 153' ' ' LEU . 43.6 t 177.26 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 10.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 153' ' ' LEU . 11.2 mttt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.7 OUTLIER -39.86 -62.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 22.0 t-20 67.84 24.07 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -114.38 -11.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -127.02 -168.03 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 10.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -155.42 168.95 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 10.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' ASP . 3.7 mt-10 36.48 -116.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -84.57 57.86 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 42.01 -101.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 10.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.3 p 153.91 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 10.0 110.01 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.36 175.82 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 86' ' ' HIS . 3.2 m-85 -107.22 176.75 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 186' ' ' CYS . 3.2 mp -136.63 130.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.501 ' O ' ' CG1' ' A' ' 184' ' ' ILE . 0.9 OUTLIER -85.74 101.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 2.9 p-80 -154.32 176.08 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 18.0 mt-10 84.35 -28.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 7.9 mm-40 -133.3 167.13 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 10.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.429 ' HB1' ' ND2' ' A' ' 179' ' ' ASN . . . -177.51 -167.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER 162.56 98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 10.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 180' ' ' SER . 7.3 t30 39.23 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 10.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 p 155.66 67.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 10.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 175.36 38.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 10.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 49.36 175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 10.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.536 ' NH2' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER 66.42 61.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -114.01 -89.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -150.03 148.43 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 0.5 OUTLIER -136.17 168.45 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 108.241 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.407 ' C ' HG21 ' A' ' 45' ' ' VAL . . . -102.42 -74.69 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.441 ' N ' HG21 ' A' ' 45' ' ' VAL . . . 69.98 148.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 10.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.5 mt 62.69 98.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 161' ' ' SER . 3.3 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -56.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 44' ' ' HIS . . . 147.99 -143.12 10.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 10.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLY . 2.5 m170 36.65 77.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 10.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 42' ' ' GLY . 1.8 p-80 -148.7 158.04 43.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 10.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 189' ' ' LEU . 74.1 t -109.33 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.22 117.03 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 58' ' ' ILE . 5.8 mt -84.44 98.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.586 ' O ' ' CG1' ' A' ' 185' ' ' VAL . 81.8 t -86.25 145.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -84.76 13.65 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HB2' ' CG2' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 66.69 -60.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 10.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mm-40 -80.36 -82.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -43.02 -69.63 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 10.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 10.5 ttmt 157.93 -43.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 10.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 162.53 147.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 12.4 m -115.48 -18.16 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -148.45 -140.59 3.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 10.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 170.01 173.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 47' ' ' LEU . 16.8 mm -93.89 141.22 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 58' ' ' ILE . 21.1 mt-10 -137.92 117.92 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.501 ' CG2' HG22 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -99.12 120.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -160.07 62.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 10.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -38.68 157.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 10.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.63 -158.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 10.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.23 59.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.52 -81.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 10.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -134.61 152.68 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.86 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 10.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 145' ' ' THR . 3.6 mp -82.97 88.67 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.405 ' CG ' HD22 ' A' ' 147' ' ' LEU . 2.4 t70 -120.16 -170.22 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 10.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' CD1' HG12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -82.89 171.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' OD2' ' A' ' 137' ' ' ASP . 7.9 t-80 -109.92 65.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.53 HG12 ' CD1' ' A' ' 70' ' ' ILE . 6.4 pt -87.15 124.48 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -155.02 71.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -40.54 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.6 t30 -84.81 -163.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -110.91 96.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 110.061 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 6.9 mp -45.74 -79.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.521 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.25 -55.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 41.21 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 10.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 27.51 43.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -74.4 175.56 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 10.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.4 ' O ' HD13 ' A' ' 83' ' ' LEU . 33.1 m -102.2 127.64 49.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -115.83 61.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.365 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 98.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.416 1.072 . . . . 10.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.657 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 1.1 p90 -146.67 112.72 5.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.686 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 1.5 t-160 160.03 98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.619 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 156' ' ' LEU . 0.7 OUTLIER 68.8 164.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 10.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -85.97 168.02 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 10.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.1 tt0 -133.27 -54.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -154.18 59.03 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.21 166.69 3.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 10.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.487 ' HB2' ' CB ' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -91.44 156.78 17.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 10.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 31.9 p -47.58 105.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -134.0 81.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 60.32 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.78 . . . . 10.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -141.73 140.93 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 10.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 52.95 91.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 10.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.03 114.82 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 10.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.1 p -98.95 167.14 10.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 10.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.07 57.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 10.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.79 144.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 10.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.72 146.13 31.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 80.78 2.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 10.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.9 p30 -175.0 74.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -114.1 97.12 44.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.08 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 10.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -95.49 74.02 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.55 59.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 10.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -97.07 59.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 10.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 1.9 t 38.33 -142.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 10.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.62 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 10.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -83.49 -63.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 10.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 158.62 40.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 37.4 29.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 10.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -83.68 70.33 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 10.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -122.54 93.03 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 10.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.579 ' OD2' ' CD2' ' A' ' 71' ' ' HIS . 9.3 p30 -113.44 112.29 23.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' CD2' ' A' ' 86' ' ' HIS . 6.5 m -86.55 117.25 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.67 20.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 10.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 8.4 ptp -150.4 -169.68 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 45.02 29.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -121.75 152.9 59.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -175.09 75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' LEU . 2.3 p -91.92 64.67 4.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 p -91.57 112.92 25.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 10.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.496 HD13 ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 156' ' ' LEU . 3.3 pp -77.69 55.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.29 8.51 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -103.09 -16.73 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -121.24 -163.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.502 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 4.7 t70 -103.2 126.25 50.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.5 OUTLIER -35.43 -56.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.91 48.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -173.03 106.41 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 10.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.486 ' HB3' ' CD1' ' A' ' 190' ' ' LEU . 0.4 OUTLIER -129.75 7.75 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 187' ' ' GLY . . . -143.06 174.55 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 10.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.686 ' CE2' ' O ' ' A' ' 86' ' ' HIS . 3.0 m-85 -97.77 178.41 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -91.82 132.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -104.03 69.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.67 ' CD2' ' O ' ' A' ' 185' ' ' VAL . 10.3 m170 -131.3 178.07 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 10.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER 78.46 -24.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 10.0 110.343 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.612 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 4.1 mt-30 -139.52 177.07 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 10.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 91.98 134.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -139.51 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.004 -0.839 . . . . 10.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.414 ' HB3' ' HA ' ' A' ' 170' ' ' ASP . 13.3 t30 -71.38 -143.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.41 ' H ' ' ND2' ' A' ' 179' ' ' ASN . 4.0 p 77.96 47.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.5 46.33 1.19 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 10.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 57.51 163.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 10.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.23 77.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 110.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 185' ' ' VAL . 3.3 mp -124.25 -105.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 10.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.67 ' O ' ' CD2' ' A' ' 166' ' ' HIS . 0.2 OUTLIER -110.76 146.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 134.16 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 162' ' ' ALA . . . -132.72 111.27 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 10.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 92' ' ' SER . . . -170.97 60.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 10.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 31.6 mt -148.39 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 161' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 61' ' ' LYS . 2.0 m-85 -68.9 77.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 52.81 106.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 10.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' NE2' ' CB ' ' A' ' 40' ' ' ALA . 20.0 p80 -175.52 168.6 3.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 10.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.17 68.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 10.0 109.548 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -139.64 89.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.17 120.74 41.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 10.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -112.95 96.25 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.454 ' N ' HG22 ' A' ' 185' ' ' VAL . 26.7 t -123.86 115.35 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.521 ' OD1' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -103.81 176.6 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 179' ' ' ASN . 11.1 mtt180 -91.2 53.78 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CG ' ' OD1' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -138.48 -91.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.62 -74.52 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 10.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -177.47 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 10.0 109.321 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -170.36 148.81 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' CB ' ' HG ' ' A' ' 83' ' ' LEU . 27.5 m -106.13 17.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 153.89 -146.88 15.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.11 . . . . 10.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 157.27 176.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 10.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.485 HG21 ' CD1' ' A' ' 72' ' ' ILE . 19.2 mm -115.84 116.39 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -151.35 58.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 10.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.54 ' CG1' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -87.28 177.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -122.99 58.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.09 109.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 10.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -53.61 -97.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 174.8 62.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 -83.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 68' ' ' LEU . 12.9 mt-10 -129.14 -159.97 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 142' ' ' ALA . . . -49.91 88.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.142 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm? -116.56 107.18 14.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' CG1' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -156.12 84.45 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 10.0 109.238 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.668 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 1.6 pp -97.5 59.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 60' ' ' ILE . 0.3 OUTLIER 178.23 52.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 10.0 109.589 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 58' ' ' ILE . 40.0 mm -102.56 59.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -80.02 69.4 6.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 10.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.38 84.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 15.1 m120 -153.55 -42.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 10.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.446 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 60.8 p 173.16 80.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 10.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -88.54 -28.47 20.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 10.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.83 152.07 7.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 10.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.02 135.07 18.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 10.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.01 70.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 171' ' ' ASP . . . -144.17 166.17 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 75.0 m -110.47 127.54 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -140.22 97.16 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.39 148.21 26.12 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 10.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.498 ' C ' ' CG ' ' A' ' 86' ' ' HIS . 7.3 t80 -162.47 123.26 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 10.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CG ' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 165.17 117.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 10.0 109.628 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mm -50.72 101.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.98 174.07 15.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 10.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.93 -176.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -111.68 92.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 57.58 116.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 10.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' SG ' ' A' ' 186' ' ' CYS . 1.7 t -89.06 122.98 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' VAL . 71.5 m 66.24 155.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 10.0 108.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' CYS . 55.7 t 61.49 122.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.254 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 60.73 108.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.46 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER 65.24 173.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -169.29 89.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.42 -63.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 t -173.7 78.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 10.0 109.935 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 87.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.5 -150.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 10.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.85 -119.07 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.59 5.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 10.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 10.0 111.013 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.52 148.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 pp -89.57 156.84 47.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.58 22.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -74.73 63.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.439 HD13 ' ND2' ' A' ' 75' ' ' ASN . 40.6 mt -138.72 68.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.499 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -157.45 74.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.63 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.2 OUTLIER -179.48 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 11.88 -120.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -97.55 17.24 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 10.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.485 ' CB ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -59.07 -16.42 18.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.446 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -99.07 0.29 57.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 10.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 132' ' ' ALA . 2.2 mttt -84.56 89.45 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.497 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -115.45 124.09 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.508 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 9.1 p-10 -121.05 68.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 137' ' ' ASP . 27.0 m -157.82 167.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -149.17 169.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -155.97 112.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 140' ' ' MET . 13.7 t-20 53.79 103.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -155.91 133.03 6.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 10.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.99 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 10.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 146' ' ' SER . 4.1 m-20 -174.68 72.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' A' ' 69' ' ' ASP . 41.9 p -57.06 85.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 10.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' ASP . 0.3 OUTLIER 60.82 12.76 3.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 10.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 153' ' ' LEU . 7.1 mtmm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -35.35 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 7.6 t-20 83.07 29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -97.57 -15.27 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.474 HD12 ' CA ' ' A' ' 160' ' ' GLY . 0.1 OUTLIER -83.85 -169.0 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.55 43.44 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.32 4.86 4.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.74 -34.15 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.474 ' CA ' HD12 ' A' ' 156' ' ' LEU . . . 69.05 142.73 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 10.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.53 137.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 10.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 189' ' ' LEU . . . -125.65 170.1 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 10.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 165' ' ' ILE . 1.7 p90 -87.56 125.77 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 10.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -108.22 134.25 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 163' ' ' PHE . 2.1 mp -111.54 176.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 10.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.621 ' CG ' ' HB ' ' A' ' 184' ' ' ILE . 2.8 t-80 94.79 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' HG3' ' HA ' ' A' ' 182' ' ' ALA . 1.4 tt0 60.41 4.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 166' ' ' HIS . 50.1 mm-40 -92.92 175.56 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . -110.86 150.53 29.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.8 t0 83.86 115.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.457 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.456 ' CB ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 m-80 -113.32 57.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 87.5 p -119.8 81.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.494 ' H ' ' CE1' ' A' ' 166' ' ' HIS . . . -98.04 -86.54 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 183' ' ' ARG . . . -179.29 111.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 10.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER 32.33 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.621 ' HB ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -116.85 -59.9 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 1.4 p -90.49 107.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.413 ' SG ' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -150.91 140.85 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 10.0 108.258 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -85.21 -39.27 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 67.36 119.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 10.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.519 ' O ' ' CD1' ' A' ' 189' ' ' LEU . 0.8 OUTLIER -155.46 59.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 10.0 109.339 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -47.19 -55.63 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 10.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.63 -128.92 1.03 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 10.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.41 ' C ' ' CG ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -56.2 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 10.0 109.596 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 171.41 159.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 10.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' VAL . 14.2 m -83.73 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -55.28 140.22 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 10.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -113.11 71.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 10.0 109.274 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 53' ' ' LYS . 1.4 t -81.49 127.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 10.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' OD1' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.08 153.19 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.54 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HG3' ' CA ' ' A' ' 178' ' ' GLY . 2.8 mm-40 -110.18 -53.41 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 10.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -35.27 -40.62 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 87.71 -29.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.504 ' O ' ' CD2' ' A' ' 77' ' ' LEU . . . 169.11 146.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 20.6 m -112.85 9.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 10.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.603 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 140.98 -119.27 1.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 10.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.43 157.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 10.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CG1' HG23 ' A' ' 45' ' ' VAL . 13.8 mm -109.25 92.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 79.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -84.78 141.82 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.68 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.03 59.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 10.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.2 mm-40 -2.7 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 p -83.22 175.88 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.54 75.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.54 -80.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.1 tt0 -155.5 160.16 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 68' ' ' LEU . . . 39.85 -97.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 10.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -149.19 159.8 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.3 OUTLIER -157.71 28.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 10.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 0.5 OUTLIER -87.62 177.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -122.16 73.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' HD11 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -94.41 112.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -157.47 164.9 36.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 110.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . . . 86.2 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 25.2 m-20 -128.83 -22.66 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 83' ' ' LEU . 4.8 t -109.34 123.76 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 3.7 mt -53.47 -48.68 68.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.3 mtp180 156.53 -46.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.02 125.28 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 10.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . -24.91 93.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 10.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' O ' ' CA ' ' A' ' 129' ' ' GLU . . . -113.79 169.17 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.763 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 1.6 m -118.81 96.12 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 10.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -105.77 100.62 10.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 10.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.31 53.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 10.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 p90 -135.96 126.65 27.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 10.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 165.73 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.9 mm -39.55 155.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.67 171.55 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -108.63 -63.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -137.58 147.42 45.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 60.2 127.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 10.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 188' ' ' ALA . 1.7 m -102.27 46.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 10.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.6 m 65.07 63.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 108.346 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.5 t -127.97 128.5 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 66.85 89.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.41 2.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 10.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 -64.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -161.42 73.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.0 74.36 3.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 10.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -100.36 76.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 109.932 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.54 -68.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.44 96.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 10.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.35 115.67 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 105' ' ' PHE . 18.2 Cg_endo -75.0 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 104' ' ' PRO . 2.7 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 10.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 78.47 175.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 10.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.55 108.59 48.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.367 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 124' ' ' ASP . 18.1 Cg_endo -75.05 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 10.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -85.15 169.93 13.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 68.74 63.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.509 ' CA ' ' O ' ' A' ' 81' ' ' ALA . 2.6 pt-20 -148.79 58.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 10.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -176.8 165.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . -56.58 -148.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 10.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 87.35 -11.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER 77.42 38.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.76 93.42 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.57 59.44 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 10.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -118.99 159.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 136' ' ' VAL . 0.6 OUTLIER 172.03 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 10.0 109.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.8 OUTLIER -136.18 113.24 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 16.2 mm -113.86 -110.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 10.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.42 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -82.74 -149.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 140' ' ' MET . 11.0 t-20 66.35 29.29 9.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.96 139.34 34.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 10.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 t70 176.11 74.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 10.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 146' ' ' SER . 43.7 p -112.93 55.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.591 ' O ' ' C ' ' A' ' 147' ' ' LEU . 5.2 p 86.99 -159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.581 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.581 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER 24.21 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -109.85 22.68 15.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 10.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -113.51 -33.12 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 10.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.527 ' C ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -86.13 -159.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -83.79 149.12 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.7 OUTLIER -32.54 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 10.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -86.9 -50.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 130.87 -87.15 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.1 p 87.01 170.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 10.0 109.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.439 ' HB2' ' C ' ' A' ' 187' ' ' GLY . . . -141.5 179.54 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -82.23 167.08 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 186' ' ' CYS . 3.1 pt -121.65 145.73 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 83' ' ' LEU . 4.8 mp -98.58 98.42 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.518 ' HB2' ' CB ' ' A' ' 182' ' ' ALA . 4.9 p80 -116.29 175.45 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 43.86 26.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.461 ' C ' ' CD ' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -83.96 176.0 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -110.77 168.94 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -77.13 -152.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 10.0 109.334 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.472 ' CA ' ' HG3' ' A' ' 51' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -172.12 119.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 72.4 p -174.36 36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -168.58 118.16 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 166' ' ' HIS . . . -38.98 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER 82.91 60.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.271 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -131.51 -40.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 165' ' ' ILE . 0.2 OUTLIER -139.13 125.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 164' ' ' ILE . 19.7 p -147.98 152.17 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.439 ' C ' ' HB2' ' A' ' 162' ' ' ALA . . . -129.72 154.43 20.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 10.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.463 ' CA ' HG13 ' A' ' 45' ' ' VAL . . . -179.89 176.54 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 10.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 189' ' ' LEU . 0.1 OUTLIER 64.52 81.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 190' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -127.6 149.38 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.28 158.25 33.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 10.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 152.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 10.0 109.553 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.84 130.59 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' O ' HD12 ' A' ' 47' ' ' LEU . 2.7 t -137.69 60.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 10.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.84 140.23 57.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -124.32 111.1 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.94 100.73 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.555 ' HA ' ' CG2' ' A' ' 185' ' ' VAL . 12.1 m-80 -83.02 139.02 33.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 52.67 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -134.4 -71.9 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 10.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.59 -83.77 1.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 10.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -175.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 10.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -146.69 166.85 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.3 m -155.1 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.603 ' HA3' ' HA ' ' A' ' 74' ' ' ALA . . . 142.65 -155.72 25.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.3 p90 175.86 175.62 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 8.1 mm -103.25 116.81 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -156.09 58.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.551 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 10.2 pt -84.45 154.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.74 76.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 10.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.609 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -19.47 119.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.162 . . . . 10.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.545 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -102.67 179.72 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 10.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.44 71.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 10.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.97 -73.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -154.58 143.72 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.32 -152.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 145' ' ' THR . 0.9 OUTLIER -87.51 115.86 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 10.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.545 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -115.17 36.24 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 10.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.602 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pp -82.39 -179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 85.81 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 70' ' ' ILE . 1.0 OUTLIER -135.4 123.72 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.75 115.41 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . . . -66.25 82.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' C ' ' A' ' 55' ' ' VAL . 21.7 p-10 -113.33 -154.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 64.12 55.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -128.48 -153.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 164.13 -52.64 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 10.0 110.254 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.0 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 10.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 15.82 62.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 10.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -90.62 157.94 17.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 10.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 168' ' ' GLN . 7.9 m -84.46 114.84 22.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -104.0 83.19 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -32.69 -75.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 48.21 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 10.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 87' ' ' ILE . 4.0 t-160 171.77 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.55 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.47 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -51.25 132.55 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 10.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -155.42 148.15 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 10.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' TYR . 7.4 pt-20 -30.67 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 164' ' ' ILE . 13.5 mttt -100.49 118.37 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 162' ' ' ALA . . . -147.22 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 188' ' ' ALA . 6.5 t -80.48 82.74 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 10.0 109.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -42.61 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 108.292 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.2 t 48.41 73.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 63.01 82.83 0.21 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 10.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 10.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.19 121.01 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 55.16 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.03 138.94 58.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 10.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.79 91.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 10.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.55 -70.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.43 -97.61 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 10.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.47 -146.53 18.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 10.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.989 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -75.55 128.36 35.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -84.43 -58.78 0.36 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.07 173.65 14.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 10.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -107.53 76.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.94 61.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 10.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.3 mm-40 -84.25 58.47 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 10.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 35.39 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.55 -38.14 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 10.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -108.35 11.95 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 10.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 73.53 28.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 10.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 74' ' ' ALA . . . 54.28 50.39 56.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.79 85.64 7.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 10.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.9 m -144.95 94.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.601 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 25.6 p-10 -116.32 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.601 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 6.3 m 54.04 159.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -146.6 147.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -125.12 144.6 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 140' ' ' MET . 7.9 t30 78.83 91.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.44 153.96 81.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 10.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -179.53 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.534 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 17.3 p -84.89 79.25 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.9 104.13 16.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 10.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.596 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.596 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER 24.37 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 2.3 t30 -77.1 0.79 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.553 ' O ' ' CA ' ' A' ' 160' ' ' GLY . 4.8 pt -85.62 59.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -119.55 55.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -151.35 76.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.4 tt0 86.51 -36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 10.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -83.96 -41.66 17.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 10.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -60.19 -145.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 10.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.481 ' C ' ' HG ' ' A' ' 189' ' ' LEU . 3.6 m 79.57 163.86 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 10.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.436 ' N ' ' HA3' ' A' ' 91' ' ' GLY . . . -82.75 176.72 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.04 146.88 25.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 13.6 mt -93.86 126.99 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 186' ' ' CYS . 0.1 OUTLIER -133.07 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -167.73 149.4 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 10.0 109.582 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.461 ' CG ' ' CB ' ' A' ' 182' ' ' ALA . 2.6 pt-20 -68.93 56.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 2.6 mm-40 -84.59 179.49 7.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 68.03 127.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 179' ' ' ASN . 1.1 p30 -68.53 136.79 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.434 ' HB2' ' ND2' ' A' ' 179' ' ' ASN . 7.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 10.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -163.67 119.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.5 p -179.43 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 10.0 110.069 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -169.08 111.25 0.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 10.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 167' ' ' GLU . . . -170.18 114.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.0 OUTLIER -86.99 80.52 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.248 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.06 0.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.555 ' CG2' ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -110.83 102.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -155.07 137.76 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 108.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -93.93 -142.12 11.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' SER . . . -165.52 104.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 189' ' ' LEU . 0.0 OUTLIER -137.28 99.8 4.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 10.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 189' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.548 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 23.8 m-85 -148.71 104.06 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 164.98 -124.71 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 190' ' ' LEU . 46.9 m-70 -52.83 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 10.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 74.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.595 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 2.2 t -135.34 87.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.17 97.58 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 10.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.46 84.53 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 ' O ' ' HB ' ' A' ' 185' ' ' VAL . 2.4 t -126.32 110.37 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.1 m-80 -81.8 162.18 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.44 33.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.37 -85.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.91 -75.73 0.74 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -176.21 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.5 169.15 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.511 ' C ' ' O ' ' A' ' 75' ' ' ASN . 25.1 m -146.0 10.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 74' ' ' ALA . . . 133.35 171.02 12.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -165.58 175.5 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -120.67 133.26 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 71.5 mt-10 -155.62 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.524 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -88.5 155.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 10.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.7 54.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 10.0 109.297 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' ASP . 14.3 mt-10 -145.13 -120.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 10.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 13.2 t 63.43 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER 76.33 -56.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 10.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.0 -45.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 63' ' ' SER . 7.5 pt-20 -124.96 -156.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.496 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -86.63 103.87 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 10.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.7 mp -94.0 -113.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -140.79 90.53 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 HD13 ' CD1' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -84.51 173.5 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.71 89.11 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.524 ' CG2' ' CG2' ' A' ' 60' ' ' ILE . 1.6 pp -138.39 72.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.88 81.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 10.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . . . -60.23 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.537 ' HA ' ' HA3' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -82.54 128.54 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 4.5 m -113.94 53.79 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -35.8 -37.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -44.77 127.65 5.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.3 Cg_endo -75.04 133.25 16.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.77 64.69 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.42 1.075 . . . . 10.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 78' ' ' ARG . . . -117.05 176.23 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 10.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 3.7 m -127.71 116.83 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 1.5 mm? -110.38 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.26 160.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 10.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.661 ' CD2' ' CE2' ' A' ' 163' ' ' PHE . 43.7 t80 -169.73 104.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 10.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ILE . 3.0 t-160 -176.2 111.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.2 tp -40.01 147.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 173.61 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 10.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -101.73 50.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.45 158.07 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 10.0 109.234 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.2 -127.45 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 10.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.458 ' HA ' ' CB ' ' A' ' 188' ' ' ALA . 8.5 t -84.62 64.19 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 10.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER 40.28 81.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 10.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.8 161.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 10.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 60.99 150.8 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 16.3 p-10 177.22 128.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER 178.32 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.008 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.7 168.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.81 110.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.94 -69.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.56 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 10.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.62 158.47 15.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 10.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -166.4 155.83 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 10.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -151.42 64.32 5.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.04 156.79 42.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 10.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -76.19 58.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.4 mt -151.16 59.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.441 ' CA ' ' O ' ' A' ' 81' ' ' ALA . 4.6 pt-20 -155.51 62.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -171.07 163.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.503 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.27 42.36 3.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 10.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.604 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -73.42 -59.35 2.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.604 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 6.0 p-10 147.72 -11.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' A' ' 75' ' ' ASN . . . 80.58 66.46 1.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.475 ' CG ' ' OD1' ' A' ' 133' ' ' ASP . 0.3 OUTLIER -85.95 58.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 10.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.8 t -130.99 90.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.519 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 8.3 p-10 -158.74 176.35 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.519 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER 61.15 138.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -108.44 166.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 10.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 17.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.0 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.496 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -85.93 124.47 70.66 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 10.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -168.93 65.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 10.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.44 ' O ' ' OG ' ' A' ' 146' ' ' SER . 4.3 p -71.1 88.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.544 ' O ' ' C ' ' A' ' 147' ' ' LEU . 59.9 p 60.28 -144.11 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 10.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.693 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.1 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.693 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER 9.45 72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 152' ' ' LYS . 34.3 t30 -97.96 50.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 10.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.5 pp -106.15 -6.26 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.473 ' CD1' ' HA2' ' A' ' 160' ' ' GLY . 0.2 OUTLIER -127.67 -76.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.36 160.71 41.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 10.0 109.244 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -22.32 64.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -45.66 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 147.31 176.55 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.9 p 160.55 149.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 10.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.79 175.38 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.661 ' CE2' ' CD2' ' A' ' 85' ' ' PHE . 15.7 p90 -105.59 166.69 10.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 10.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.565 HD11 ' CG ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -116.68 134.36 60.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -102.57 112.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.565 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -175.33 174.33 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.553 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.402 ' CA ' ' HA ' ' A' ' 180' ' ' SER . 2.8 mt-10 60.52 12.07 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 10.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -128.32 162.11 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 10.0 110.313 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 76.58 -177.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 10.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 178.06 127.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.016 -0.834 . . . . 10.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.99 -45.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 10.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.403 ' HB3' ' C ' ' A' ' 168' ' ' GLN . 46.1 p -89.78 37.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -126.47 90.13 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 10.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 66.38 174.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 10.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.5 OUTLIER -55.22 122.42 11.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 10.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 181' ' ' GLY . 0.8 OUTLIER -119.03 -55.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 48' ' ' VAL . 3.1 p -134.8 149.71 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 16.6 t -155.89 134.12 11.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -72.94 -76.0 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 92' ' ' SER . . . 67.71 137.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 10.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 190' ' ' LEU . 8.6 mt 69.4 100.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.491 ' CD2' HD11 ' A' ' 153' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 10.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.46 -40.05 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.38 75.69 0.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.9 m80 53.07 -173.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 10.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -168.88 122.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.639 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 1.4 p -96.82 60.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 45' ' ' VAL . 15.8 pt20 -27.5 133.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.59 102.26 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.67 135.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CB ' ' HB ' ' A' ' 185' ' ' VAL . 0.0 OUTLIER -113.66 167.87 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -91.28 26.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.96 -80.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 10.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 -79.93 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 10.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -176.41 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 10.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.54 172.12 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -128.16 3.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.32 -117.62 1.47 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.6 OUTLIER 167.55 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 10.0 110.965 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -107.86 97.9 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -156.13 79.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 110.255 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -85.17 161.02 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -93.61 -174.16 3.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 3.3 mt-10 -88.78 115.18 26.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 10.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.431 ' HA ' ' OD2' ' A' ' 69' ' ' ASP . 87.4 p -83.07 -47.59 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 110.055 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 76.56 34.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -52.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.84 -164.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.26 -92.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -88.83 -167.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 10.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 15.4 t0 -136.44 -146.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.583 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -101.72 111.46 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 10.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 1.7 m170 158.54 55.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 60' ' ' ILE . 1.4 pp -153.93 68.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 m -86.69 58.71 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.18 91.34 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.517 ' HB2' ' CG1' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -116.6 -48.47 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 10.6 p 159.34 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 110.045 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.35 -24.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 76' ' ' SER . 12.8 mtp-105 -79.79 163.32 58.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.0 142.62 28.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 10.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.04 75.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 76' ' ' SER . . . -114.36 176.24 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.514 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 4.3 m -149.68 97.96 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -94.39 113.31 25.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.24 104.21 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -124.25 164.12 20.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 10.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 172.88 71.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 10.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mm 64.8 148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.357 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -152.13 175.51 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.53 71.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 10.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.85 144.96 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 10.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p -84.67 133.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.1 65.97 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 ' O ' ' HD3' ' A' ' 95' ' ' ARG . 3.4 m -117.67 -8.93 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 169.39 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 10.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.1 Cg_endo -74.99 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 69.39 -62.22 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.7 OUTLIER 45.78 52.75 9.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 10.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -42.39 136.39 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 10.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 -50.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 10.0 109.939 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.63 -72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.37 147.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.501 1.126 . . . . 10.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 104' ' ' PRO . . . 123.77 136.37 4.71 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 103' ' ' GLY . 18.3 Cg_endo -74.94 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 10.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -161.29 151.21 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 10.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 69.66 15.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.8 21.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.52 72.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 10.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.481 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.2 OUTLIER -160.0 64.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 10.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -149.26 69.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.4 OUTLIER -173.1 166.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.79 34.18 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 10.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -58.16 -41.11 83.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.736 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 5.3 m-20 150.3 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.445 ' HA2' ' ND2' ' A' ' 75' ' ' ASN . . . 86.76 44.9 5.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.15 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 106.59 15.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 75' ' ' ASN . 3.7 m -151.66 76.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.511 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -95.64 176.31 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 10.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.511 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 65.25 160.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -136.03 153.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.62 109.86 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.9 t30 51.44 96.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 10.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.58 161.04 55.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 10.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -67.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 10.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -166.07 41.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 147' ' ' LEU . 25.1 p -92.07 69.61 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.69 79.79 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 154' ' ' ASN . 0.1 OUTLIER -94.57 -106.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 14.8 t-20 167.17 -30.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.7 pt -91.33 50.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.16 101.06 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 173.85 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -38.06 -59.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 -52.04 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.22 -121.7 1.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 10.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 12.8 t 172.9 157.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.461 ' HB3' ' CG2' ' A' ' 45' ' ' VAL . . . -155.82 154.82 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 10.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.24 106.26 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.408 HG21 ' CB ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -84.4 123.62 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 185' ' ' VAL . 4.0 mp -108.47 155.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -174.75 174.72 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.38 3.51 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -84.35 173.51 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 10.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 166.87 -164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.404 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 5.0 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -109.75 -146.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 10.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 168' ' ' GLN . 48.2 t 178.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 176.02 -130.82 1.76 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 10.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 56.34 165.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.44 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 10.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 1.0 OUTLIER -107.42 -63.8 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.488 ' N ' ' CG2' ' A' ' 184' ' ' ILE . 1.5 p -96.51 126.47 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.79 137.68 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 10.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 46' ' ' GLN . . . -52.09 -55.29 22.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 10.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 189' ' ' LEU . . . 67.71 106.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 10.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 188' ' ' ALA . 11.9 mt 59.88 120.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 59' ' ' GLU . 2.1 p90 -33.64 -40.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 110.71 -129.23 9.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 10.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . 21.7 m80 -51.58 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 169.51 166.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 10.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG12 ' CD2' ' A' ' 47' ' ' LEU . 3.6 t -88.53 93.62 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -67.21 74.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.528 ' CD2' HG12 ' A' ' 45' ' ' VAL . 7.2 mt -85.39 95.34 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 10.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 54' ' ' ALA . 23.5 t -116.04 125.75 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' ND2' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -85.06 115.8 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 4.8 tpt180 37.36 -105.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 10.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 7.1 mt-10 -143.13 6.07 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 10.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -44.95 -48.64 9.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.167 . . . . 10.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 170.87 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 10.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . 74.64 116.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -126.87 22.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 10.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 74' ' ' ALA . . . -118.5 108.69 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -165.47 158.44 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.02 95.73 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.4 mt-10 -119.52 74.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.559 ' CG2' ' HB ' ' A' ' 70' ' ' ILE . 1.8 pp -122.98 170.95 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 10.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -144.4 87.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -33.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -86.4 -95.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.71 -32.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 11.9 p-10 -84.14 -136.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -83.95 144.76 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.299 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 147' ' ' LEU . . . 35.82 -151.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 10.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.521 ' HG ' ' CG ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -154.85 -168.11 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.741 . . . . 10.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.47 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 1.1 m-20 -139.89 24.32 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 10.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.559 ' HB ' ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -84.38 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 137' ' ' ASP . 14.9 m170 -118.44 78.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.576 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -81.99 99.39 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -156.06 169.2 25.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.475 ' CB ' ' HA2' ' A' ' 56' ' ' GLY . . . -165.57 55.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 76' ' ' SER . 9.2 m-80 -158.68 170.14 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 10.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.8 p 93.05 58.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 10.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mt -60.16 -71.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.0 ttm180 158.14 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -75.01 47.66 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 10.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.45 86.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 129' ' ' GLU . . . -127.33 175.09 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 10.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.485 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 22.4 m -95.45 137.23 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.59 86.71 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 165' ' ' ILE . . . -61.14 139.33 47.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 10.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.69 120.68 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 10.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.3 130.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 10.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.551 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.0 OUTLIER -109.96 79.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -149.0 91.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 10.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -176.04 175.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 10.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -136.45 111.22 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 10.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.97 111.44 1.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 10.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . 15.2 p -85.53 156.07 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 10.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.28 131.74 47.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.69 -19.38 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 170.75 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.03 -88.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 10.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 2.5 t70 77.64 97.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 10.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -130.52 -47.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 10.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.74 -40.43 95.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.36 -61.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 10.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 41.42 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.33 -115.73 2.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.69 -149.38 43.22 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -176.98 3.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 10.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.2 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 110.982 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.016 -0.834 . . . . 10.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -168.27 133.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 10.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.31 87.35 7.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 10.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -73.02 59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 mt -144.07 69.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.498 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 6.2 pt-20 -150.86 59.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.514 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.2 OUTLIER 168.91 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 10.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -58.19 151.36 31.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 69.66 -55.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLY . 1.4 m-20 -53.29 -21.08 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -102.66 -5.35 48.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 10.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -82.73 80.3 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 10.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.401 ' C ' ' CG ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -106.46 172.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 165.42 112.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.6 m -83.61 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 16.9 mm -115.31 -116.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.16 179.64 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 141' ' ' ASN . 9.0 t30 60.25 22.63 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.27 145.93 46.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 10.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 10.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 168.36 69.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 146' ' ' SER . 1.6 p -88.65 69.86 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 10.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 145' ' ' THR . 1.5 p 91.88 -9.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.521 ' CG ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 33.36 84.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.365 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -89.57 19.2 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 10.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -105.78 -22.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 157' ' ' ASP . 4.1 pp -107.16 -156.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 159' ' ' ASP . 93.0 m-20 -85.97 69.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 65.93 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.8 m-20 -152.13 27.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -125.41 124.1 5.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 35.8 p -171.84 136.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 10.0 110.047 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.71 120.07 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 10.0 109.359 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.551 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 3.8 m-85 -87.48 148.03 25.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.77 100.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.34 137.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 10.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.421 ' HB2' ' N ' ' A' ' 183' ' ' ARG . 1.1 p-80 -177.32 175.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.11 4.36 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 175.37 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -151.48 142.97 23.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.88 -56.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.43 ' HB3' ' ND2' ' A' ' 179' ' ' ASN . 8.2 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 171' ' ' ASP . 3.5 p30 -72.74 -5.81 40.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 10.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.442 ' CA ' HD13 ' A' ' 184' ' ' ILE . 1.7 m -117.0 77.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -92.39 64.03 2.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.128 . . . . 10.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 58.54 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.421 ' N ' ' HB2' ' A' ' 166' ' ' HIS . 35.9 mtm180 41.01 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.442 HD13 ' CA ' ' A' ' 180' ' ' SER . 0.0 OUTLIER -136.89 -49.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 48' ' ' VAL . 4.0 t -101.72 118.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 6.1 t -155.95 133.95 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 10.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.516 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -104.02 -146.02 15.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 92' ' ' SER . . . -171.49 104.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 10.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.5 mt 69.83 139.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 10.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.61 158.33 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.31 107.7 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 10.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 1.8 p-80 -161.66 147.06 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 10.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -130.98 59.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' CG1' ' A' ' 58' ' ' ILE . 59.2 t -134.8 65.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.61 131.55 34.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.78 89.6 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -109.37 114.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.0 m-80 -82.01 146.83 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 10.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 4.73 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -107.99 -70.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 10.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -92.33 13.43 67.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 10.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 4.1 tttt 69.62 -60.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -177.46 139.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 77' ' ' LEU . 31.1 m -118.08 -9.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.44 -144.17 3.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 169.84 175.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 10.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.439 ' CD1' HD13 ' A' ' 47' ' ' LEU . 19.1 mm -112.95 107.99 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mt-10 -109.04 97.15 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 61' ' ' LYS . 16.6 mt -97.43 142.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -142.23 79.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -33.68 126.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 10.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 69.9 p -106.14 -176.6 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 10.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.77 71.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -155.8 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 10.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -125.51 -174.95 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 10.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -39.31 -86.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 10.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.54 ' CD2' ' OG1' ' A' ' 145' ' ' THR . 0.6 OUTLIER -110.45 149.69 29.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t70 -155.3 34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 HG22 ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -94.27 177.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.4 59.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 10.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.432 ' CG2' HG13 ' A' ' 60' ' ' ILE . 1.6 pp -93.41 129.93 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -155.2 67.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.975 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' O ' ' O ' ' A' ' 134' ' ' GLY . . . -36.44 133.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 10.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 75' ' ' ASN . 1.2 m-80 -78.87 162.19 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 77' ' ' LEU . 16.5 m -110.09 110.31 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -34.07 -61.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.53 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.62 -55.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 10.0 110.331 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 115.3 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.78 73.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 10.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 130' ' ' VAL . . . -37.92 133.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.429 0.723 . . . . 10.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 66.4 m -156.0 65.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.488 ' CD1' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -126.71 102.0 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 168.05 34.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 10.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.28 176.44 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 10.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.614 ' O ' ' CE2' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -99.79 169.62 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.561 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.517 ' CD1' ' HB1' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -68.05 135.88 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 10.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -116.66 160.85 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 10.0 110.97 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -142.08 -177.74 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.01 57.84 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 10.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 22.38 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 10.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 64.8 59.69 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 108.29 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.3 m -146.22 -59.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -139.46 78.53 26.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 10.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.99 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 10.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 169.24 104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 177.91 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -62.69 135.27 57.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 10.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER 159.84 70.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.25 56.02 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.43 -164.74 10.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.69 -173.98 36.62 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 10.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.985 -0.846 . . . . 10.0 110.985 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 1.2 t0 79.6 100.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.49 77.12 62.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.72 26.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 10.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 128' ' ' LEU . 26.1 m-20 60.35 170.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 10.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 83' ' ' LEU . 19.1 mt 43.52 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.511 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 18.7 pt-20 -135.72 123.84 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.511 ' CG1' ' C ' ' A' ' 129' ' ' GLU . 0.7 OUTLIER 68.42 161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 76' ' ' SER . . . -77.01 59.75 3.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 10.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.25 32.47 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 10.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.464 ' N ' ' HB2' ' A' ' 76' ' ' SER . 0.1 OUTLIER 62.12 16.01 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 53.08 65.05 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -86.82 78.24 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 10.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 137' ' ' ASP . 7.6 m -122.54 163.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 27.1 p-10 172.01 145.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 7.2 m -134.59 96.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 10.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -145.78 39.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 128.95 11.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 68.09 106.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' A' ' 145' ' ' THR . . . -155.35 118.16 2.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 10.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -171.56 60.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.54 ' OG1' ' CD2' ' A' ' 68' ' ' LEU . 26.1 p -88.02 74.35 8.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 10.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 153' ' ' LEU . 0.5 OUTLIER -90.75 69.0 6.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 147' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 10.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' LEU . 22.0 mmtt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 10.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 9.1 t-20 64.69 9.25 5.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.482 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -112.66 -20.95 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 87' ' ' ILE . 5.7 mt -84.94 -140.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -120.67 86.17 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 10.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 157' ' ' ASP . 26.9 p-10 -90.81 -42.02 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 161' ' ' SER . . . 128.38 -106.03 0.75 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER 55.06 109.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 10.0 109.991 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.632 ' HA ' ' CE1' ' A' ' 88' ' ' TYR . . . -158.69 55.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.533 ' N ' ' OH ' ' A' ' 88' ' ' TYR . 14.2 m-85 -159.2 58.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 10.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.592 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 13.1 pt -106.78 114.72 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.591 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 1.5 mp -97.33 133.21 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.552 ' CB ' ' O ' ' A' ' 165' ' ' ILE . 1.2 p-80 159.15 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.85 -21.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.522 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 3.7 mt-30 -83.99 178.25 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -111.69 108.33 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 10.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 171' ' ' ASP . 2.6 p30 -135.94 40.63 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 170' ' ' ASP . 4.2 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 184' ' ' ILE . 2.0 m120 175.02 81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.58 71.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 10.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 158.31 128.33 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 10.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 75.49 158.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.473 ' HA ' ' ND1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -63.63 116.76 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.301 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -120.43 -76.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.508 ' N ' ' CG2' ' A' ' 184' ' ' ILE . 2.6 p -106.51 110.9 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 161.26 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 188' ' ' ALA . . . -148.02 16.77 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 10.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 161' ' ' SER . . . -49.42 178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 10.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 190' ' ' LEU . 6.8 mt 69.4 59.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 10.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 156' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 11.6 m-85 63.24 51.28 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.87 -141.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 10.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -39.44 -48.92 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.18 156.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.649 ' HB ' ' CE2' ' A' ' 163' ' ' PHE . 3.0 m -96.1 114.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.12 134.35 34.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.639 HD12 ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -113.75 98.84 7.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' C ' ' CG2' ' A' ' 185' ' ' VAL . 2.5 t -130.08 108.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -83.07 163.46 20.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 10.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.16 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.1 mm-40 -108.86 -45.75 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 10.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' HA3' ' ND2' ' A' ' 49' ' ' ASN . . . -35.39 -31.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 10.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 76.86 -47.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 10.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . -176.81 150.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 4.2 m -116.56 8.05 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' O ' HD22 ' A' ' 47' ' ' LEU . . . 117.67 -113.5 2.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 10.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 169.89 157.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 10.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.475 HG23 ' CB ' ' A' ' 161' ' ' SER . 12.1 mm -111.93 73.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 10.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' HIS . 10.2 mt-10 -85.96 120.11 26.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 10.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.491 ' O ' ' CE1' ' A' ' 41' ' ' PHE . 1.9 pp -125.69 172.47 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -157.55 57.43 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 10.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 61' ' ' LYS . 3.0 mt-10 26.26 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 10.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 62' ' ' GLU . 24.3 p 33.77 -147.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.01 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.55 -63.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -95.13 -170.63 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -37.06 -92.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 10.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.505 ' CD2' ' CB ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -91.56 140.41 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.6 OUTLIER -157.44 40.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.584 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.3 pp -83.48 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 10.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 59' ' ' GLU . 2.9 t-160 -125.64 74.34 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 10.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.0 pp -109.32 108.76 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -154.27 68.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 10.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 55' ' ' VAL . . . -54.61 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 10.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -95.91 -6.33 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' ' N ' ' A' ' 78' ' ' ARG . 27.0 p 42.5 57.16 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.3 mt 39.49 -92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 164.86 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 10.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 75.3 3.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 10.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 16.5 63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 10.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.486 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -91.76 173.83 7.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 10.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.546 ' CB ' ' CB ' ' A' ' 168' ' ' GLN . 0.5 OUTLIER -100.25 122.84 43.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 10.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 130' ' ' VAL . 1.1 mm? -123.96 59.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.9 151.04 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.563 1.164 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CB ' HD13 ' A' ' 128' ' ' LEU . 13.6 t80 -168.91 137.66 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 10.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 167.19 119.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 154' ' ' ASN . 1.1 tp -39.2 129.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 190' ' ' LEU . 0.1 OUTLIER -107.63 176.07 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 10.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.33 -65.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 10.0 110.356 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -155.04 -171.93 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.359 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -37.2 126.28 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -113.69 -83.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 10.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -112.22 157.51 20.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 93' ' ' CYS . 41.9 t -156.62 -43.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 172.99 -53.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.96 -44.62 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 10.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.6 t0 65.25 144.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 10.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.77 -54.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.06 69.67 10.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 110.355 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -82.16 120.84 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 10.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.04 -70.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 55.88 93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 10.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.68 99.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 138.74 23.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 10.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 162.77 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 114.01 54.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.44 16.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 10.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -116.12 58.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 85' ' ' PHE . 47.5 mt -146.75 61.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' VAL . 5.0 pt-20 -84.36 108.49 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 10.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.506 ' CG1' ' HA2' ' A' ' 80' ' ' GLY . 32.8 t -43.74 165.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 124.14 -18.63 7.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 10.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.0 3.38 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER 72.78 56.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 76' ' ' SER . . . 41.25 27.46 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 10.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 133' ' ' ASP . 15.4 mtpt -86.57 63.09 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -116.95 96.46 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.57 113.04 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 4.7 m -110.74 104.2 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -155.28 78.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtt -129.49 169.17 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -43.96 128.68 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' CD2' ' A' ' 68' ' ' LEU . . . -128.51 168.63 15.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.11 2.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 10.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.443 ' C ' ' OG1' ' A' ' 145' ' ' THR . 5.5 m-20 168.76 53.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.443 ' OG1' ' C ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER 45.31 97.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 10.0 110.43 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 146' ' ' SER . 0.9 OUTLIER 176.78 35.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.548 ' CD1' ' CD1' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -138.44 -92.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.578 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.9 t-20 70.26 2.31 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.548 ' CD1' ' CD1' ' A' ' 147' ' ' LEU . 0.9 OUTLIER -131.84 -56.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.488 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER -103.38 70.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 190' ' ' LEU . 4.2 m-20 -84.17 139.6 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -25.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 10.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -104.99 -61.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 60' ' ' ILE . . . -178.59 -75.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.475 ' CB ' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -153.97 -178.65 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 10.0 110.011 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . . . -147.69 97.95 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 10.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.709 ' CD1' ' CD1' ' A' ' 165' ' ' ILE . 5.2 p90 -112.45 175.99 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.612 ' CG2' ' CE1' ' A' ' 166' ' ' HIS . 1.2 mp -152.54 117.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.709 ' CD1' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mp -125.38 78.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 10.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 164' ' ' ILE . 4.1 m-70 -77.32 175.44 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 10.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 181' ' ' GLY . 11.7 pt-20 -63.91 66.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 4.5 mt-30 -83.64 177.65 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 168' ' ' GLN . . . -36.46 151.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 10.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.413 ' OD2' ' C ' ' A' ' 169' ' ' ALA . 0.2 OUTLIER 56.37 175.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.0 t30 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.6 m 87.59 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 10.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 56.19 86.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . -26.9 148.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 10.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.471 ' O ' ' CG2' ' A' ' 184' ' ' ILE . 0.1 OUTLIER -55.91 127.88 32.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER -154.87 -32.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.514 ' CG1' ' CB ' ' A' ' 47' ' ' LEU . 72.3 t -81.24 82.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.459 ' HA ' ' CE1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -155.79 116.18 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -96.05 -53.14 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 10.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.407 ' HA ' ' HB1' ' A' ' 162' ' ' ALA . . . 46.91 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 10.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.66 73.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -173.84 128.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 10.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.4 95.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.59 149.12 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 10.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.67 68.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' CG1' ' A' ' 58' ' ' ILE . 56.0 t -142.0 121.93 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.46 121.9 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 10.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.61 100.05 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HA ' ' CB ' ' A' ' 54' ' ' ALA . 3.0 p -121.92 119.5 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' ARG . 69.9 m-80 -83.81 146.11 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASN . 16.3 tpt180 -34.22 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.78 -46.0 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 10.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -38.89 -47.44 2.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 10.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 79.28 3.04 2.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 10.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 88.41 124.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 76' ' ' SER . 32.9 m -140.27 12.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.83 -160.64 10.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.111 . . . . 10.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.471 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER 174.32 166.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 10.0 111.03 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.541 ' CG1' ' HB ' ' A' ' 45' ' ' VAL . 4.8 mm -99.8 136.39 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -152.08 74.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 72' ' ' ILE . 1.6 pt -83.72 147.22 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -152.21 101.73 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 10.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -26.32 128.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 10.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 23.6 p -111.72 -173.89 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -151.9 74.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 10.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' GLY . 45.1 mt-10 -120.9 -172.08 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -30.98 -63.25 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 10.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 145' ' ' THR . 0.2 OUTLIER -149.46 136.96 20.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 10.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -132.69 50.66 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 10.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -84.93 178.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -122.1 75.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.635 ' CG2' ' CE1' ' A' ' 163' ' ' PHE . 36.4 mm -98.09 81.69 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 92.49 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 10.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' CB ' ' HG ' ' A' ' 47' ' ' LEU . . . -106.94 74.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.608 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.2 m-80 -157.26 -159.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.9 t 95.51 55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -97.3 -79.1 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 160.6 -56.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 163.83 34.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.3 50.42 3.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 10.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . . . -77.05 171.76 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 10.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.515 ' OG ' ' CB ' ' A' ' 169' ' ' ALA . 40.0 m -106.41 126.68 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 10.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -117.71 73.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -20.45 129.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 10.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CD2' ' HB2' ' A' ' 86' ' ' HIS . 4.0 t80 -116.31 164.16 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 10.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 1.2 t-160 57.47 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 10.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.7 pt -59.27 -174.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 10.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -143.09 61.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 10.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 70.56 -58.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 179.43 7.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 161' ' ' SER . . . -121.93 -55.08 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 10.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.5 p -85.05 146.36 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 10.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.95 65.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 10.0 108.331 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -52.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -150.06 144.05 17.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 10.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 10.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.5 t0 175.49 -70.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -174.06 -64.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.83 119.9 28.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.32 -174.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.51 99.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 10.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 145.39 16.68 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 10.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.73 -122.97 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 10.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.77 33.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.39 132.45 50.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.05 133.47 35.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 165.61 30.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.792 . . . . 10.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -122.91 59.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.529 ' CD1' ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -170.82 59.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.9 pt-20 -90.82 57.32 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 79' ' ' PRO . 1.6 t 37.53 -146.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.54 -60.67 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 10.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.551 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -53.92 -43.38 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 10.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 152.05 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 94.17 42.72 3.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 10.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -123.5 81.46 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 10.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.5 t -113.66 87.8 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 10.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.58 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 0.1 OUTLIER -118.97 178.73 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 5.7 m 53.43 167.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 10.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.2 OUTLIER -130.81 127.06 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 1.8 mmt -86.59 107.16 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' MET . 34.5 t30 79.29 137.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.24 132.53 14.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -44.07 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -177.05 57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.487 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 45.1 p -115.92 60.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.3 p -79.62 124.51 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 10.0 110.051 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER -41.92 -35.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 6.6 t-20 83.5 -5.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.4 pt -116.58 44.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.23 103.02 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -84.56 89.1 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 72.61 -62.02 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 10.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.3 -45.17 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 10.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -179.66 -123.37 0.83 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 10.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.467 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . 13.1 p 171.43 152.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.969 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.41 176.15 12.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 10.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.635 ' CE1' ' CG2' ' A' ' 72' ' ' ILE . 24.6 m-85 -87.26 116.02 25.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 10.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 186' ' ' CYS . 3.4 mp -82.91 112.49 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.505 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.2 mp -109.92 147.88 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.686 ' O ' ' C ' ' A' ' 167' ' ' GLU . 0.3 OUTLIER -119.56 112.78 19.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 10.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 166' ' ' HIS . 68.8 mt-10 5.59 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 166' ' ' HIS . 7.2 pt20 -163.91 176.69 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.515 ' CB ' ' OG ' ' A' ' 82' ' ' SER . . . -73.21 -23.54 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.42 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -88.72 65.94 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 10.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 82.8 p -138.17 47.71 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 10.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 119.82 12.68 6.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 10.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 166' ' ' HIS . . . -78.36 111.0 13.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 10.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.4 88.43 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.496 ' CG1' ' CG ' ' A' ' 167' ' ' GLU . 2.6 pp -123.19 -34.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 165' ' ' ILE . 2.6 p -84.69 56.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.75 129.21 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 108.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.498 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -83.75 -54.32 3.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 10.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 187' ' ' GLY . . . 60.63 145.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 10.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 10.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.48 99.22 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 10.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 140.45 175.26 14.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 10.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 153' ' ' LEU . 4.7 p80 -57.71 -157.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.645 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 1.8 t-160 162.77 113.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 10.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -85.12 82.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -27.61 104.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.529 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -98.79 78.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.13 141.15 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.502 ' OD1' ' CG1' ' A' ' 55' ' ' VAL . 2.2 m-80 -112.41 172.19 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -65.19 -25.47 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 10.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 18.9 mt-10 -147.54 -43.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -30.95 -37.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 92.7 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 10.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 76' ' ' SER . . . 166.86 130.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.544 ' CG1' ' HB2' ' A' ' 76' ' ' SER . 16.8 m -89.2 26.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 109.82 -123.76 6.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 10.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.15 159.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 10.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.5 mp -99.41 100.35 10.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' ND1' ' A' ' 71' ' ' HIS . 29.7 mt-10 -138.46 69.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 ' CB ' ' HA ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -89.13 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -143.55 118.23 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 10.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -30.6 136.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 10.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 37.1 m -98.74 -84.49 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER 157.96 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 10.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 5.7 t70 -84.72 -93.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 10.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 13.9 mt-10 -141.9 172.68 12.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . 35.76 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 10.0 111.041 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CB ' HD12 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -83.62 85.33 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 10.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.559 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 6.5 m-20 -159.96 52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 41.6 mm -84.03 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 174.18 56.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.582 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 69' ' ' ASP . 41.9 mm -106.57 58.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -91.57 88.99 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -100.36 75.55 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -124.48 146.65 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 30.3 t -106.92 52.54 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 76.31 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HA ' ' C ' ' A' ' 131' ' ' GLY . 14.7 ptt180 170.01 62.24 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 10.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.97 -5.99 17.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 10.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . 74.83 66.93 1.83 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.134 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' GLY . . . 167.95 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 10.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.451 ' OG ' ' CB ' ' A' ' 129' ' ' GLU . 16.3 m -81.23 150.38 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.441 ' C ' ' CG2' ' A' ' 165' ' ' ILE . 1.9 mm? -125.29 57.16 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 165' ' ' ILE . . . 51.89 172.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 10.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 1.7 t80 170.82 140.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 10.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 81.01 168.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 10.0 109.625 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mm -99.02 156.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -153.45 175.0 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 10.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -67.29 72.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' NZ ' ' SG ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -153.17 153.31 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.292 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.09 -105.37 1.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 10.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -90.38 160.12 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 10.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.44 ' SG ' ' NZ ' ' A' ' 90' ' ' LYS . 1.7 m -101.43 80.61 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -159.32 44.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 10.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -132.55 99.97 15.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 10.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.34 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 10.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.65 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -168.95 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.02 75.59 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 m 53.06 173.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.03 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.26 53.01 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 10.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 63.5 148.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 10.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.93 119.22 4.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -147.03 173.24 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.07 92.1 49.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 10.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.582 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.01 163.34 35.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -94.08 59.08 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.426 ' HA ' ' OD2' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -165.1 98.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.515 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 5.0 pt-20 -148.47 56.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 10.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.64 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.6 OUTLIER -155.83 -162.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.64 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -49.73 -101.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 10.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -93.13 42.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.733 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -70.6 -6.7 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.485 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . . . -96.46 7.28 66.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 10.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.413 ' HG2' ' ND2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -81.39 60.67 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 10.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.33 140.11 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.53 64.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.526 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 2.6 t -159.16 161.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 10.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 69' ' ' ASP . 2.5 mm -138.82 157.41 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.01 111.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.02 86.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.55 168.72 12.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.544 1.813 . . . . 10.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 t0 175.6 62.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.4 p -87.48 12.95 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.7 m -44.39 120.47 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 60' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 10.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.412 ' CD ' ' N ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.694 ' CD2' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -62.47 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 7.6 t30 158.1 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 3.1 pt -51.93 -21.42 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.483 ' CG ' HD12 ' A' ' 153' ' ' LEU . 2.1 mm? -85.31 94.49 8.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -98.76 149.89 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 50.89 -97.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 189' ' ' LEU . 0.3 OUTLIER -84.78 -30.95 24.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 10.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . 114.33 -117.75 4.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 10.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 156' ' ' LEU . 88.1 p -178.67 166.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 10.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -132.7 167.06 20.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.534 ' CZ ' HG12 ' A' ' 58' ' ' ILE . 7.0 m-85 -85.67 174.68 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.501 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 38.4 mm -127.93 100.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 10.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 84' ' ' GLY . 1.2 mp -117.01 103.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.501 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 25.0 p80 179.77 179.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 10.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.2 OUTLIER 76.8 -0.45 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.401 ' HG2' ' C ' ' A' ' 167' ' ' GLU . 13.1 mm100 -142.78 171.45 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 65.73 114.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 10.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 171' ' ' ASP . 4.6 m-20 -134.75 83.11 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 170' ' ' ASP . 4.9 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 181' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 178' ' ' GLY . 36.7 t-20 -39.76 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 10.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 178' ' ' GLY . 1.4 p -88.98 41.76 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 178' ' ' GLY . . . -98.56 12.13 63.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.509 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 75.11 137.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 10.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' A' ' 166' ' ' HIS . 3.6 mtp-105 50.94 77.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 1.2 mp -132.06 -79.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 10.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.529 ' N ' ' CG2' ' A' ' 184' ' ' ILE . 59.8 t -84.34 129.21 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.64 136.38 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -47.31 -51.49 15.24 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 10.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 189' ' ' LEU . . . 74.16 73.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 188' ' ' ALA . 5.3 mt 61.63 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 1.7 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.13 99.73 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.39 179.28 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 10.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -174.33 85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 10.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -80.22 54.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 109.581 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 HG11 ' CD2' ' A' ' 47' ' ' LEU . 13.4 t -156.79 71.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.88 92.49 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 10.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 185' ' ' VAL . 12.9 mt -96.94 82.51 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.5 p -109.82 123.45 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -106.91 165.67 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -1.56 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.42 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 10.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -128.97 -42.77 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 10.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 8.7 tttt 175.42 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 10.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 53' ' ' LYS . . . -122.23 112.28 17.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.567 ' CB ' ' HG ' ' A' ' 77' ' ' LEU . 18.6 m -83.75 -16.75 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . -168.68 -148.07 5.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 10.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER 162.5 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 10.0 111.036 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 HG12 ' CG1' ' A' ' 45' ' ' VAL . 27.9 mm -107.69 120.35 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -139.5 88.96 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 110.315 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 156' ' ' LEU . 2.3 pp -85.2 144.03 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.686 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -145.29 63.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -4.52 108.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 41.2 t -35.69 -40.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 10.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.58 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -54.81 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -87.2 -159.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 10.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 142' ' ' ALA . . . -122.08 -4.82 9.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -147.15 105.38 3.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 10.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -159.74 27.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.8 pp -106.98 176.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.446 ' N ' HD12 ' A' ' 70' ' ' ILE . 28.8 m170 -135.09 103.49 5.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 10.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.5 pp -120.22 59.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 10.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 1.3 p -126.61 132.63 51.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' CB ' ' CD1' ' A' ' 47' ' ' LEU . . . -123.8 54.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -157.85 153.65 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.7 t 145.07 56.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HG ' ' CB ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -90.04 -90.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 mtt180 156.32 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 10.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 29.66 83.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 10.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -121.17 167.26 12.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.57 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 63.9 m -105.97 136.54 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.567 ' CD1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.97 100.46 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -47.68 168.21 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.466 ' CD2' ' CD1' ' A' ' 128' ' ' LEU . 2.6 t80 169.01 124.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 10.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 168.31 121.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 109.641 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.443 HD11 ' CE1' ' A' ' 163' ' ' PHE . 3.4 mm -66.55 81.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -155.28 86.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 2.2 mt-10 -176.23 -173.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.87 126.63 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.14 143.12 0.57 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 10.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.9 p -94.79 176.03 6.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 10.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.03 155.27 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 10.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 95' ' ' ARG . 54.4 t -147.45 -48.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 tpt85 171.13 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 10.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.05 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 10.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.36 -70.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 10.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.9 t80 56.08 93.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.63 158.05 34.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.99 -47.69 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 10.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.02 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 10.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.39 133.44 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.62 109.42 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 10.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.536 ' CG ' ' HA3' ' A' ' 123' ' ' GLY . 1.6 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 105' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.6 132.73 5.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 10.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -148.51 153.17 39.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 10.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.21 20.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 10.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 6.3 m-20 -120.34 171.31 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.472 ' HB3' ' CA ' ' A' ' 134' ' ' GLY . 3.5 mt 81.33 100.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.57 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -155.24 74.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 10.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.3 OUTLIER 168.82 107.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 10.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 29.88 -143.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 10.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.48 ' CB ' ' HG2' ' A' ' 135' ' ' LYS . . . -70.44 -6.22 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 10.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CB ' HG23 ' A' ' 130' ' ' VAL . 0.5 OUTLIER -63.48 -9.21 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 10.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . -120.47 2.05 12.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 10.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.2 OUTLIER -81.04 79.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 10.0 109.366 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.478 ' N ' ' HB2' ' A' ' 73' ' ' SER . 2.2 t -99.06 87.03 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 10.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.511 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -117.56 68.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 137' ' ' ASP . 29.3 m -158.29 143.21 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 70' ' ' ILE . 10.9 mm -113.83 160.25 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 10.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 22.6 mtt -155.35 127.42 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.3 OUTLIER 80.95 73.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 109.269 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . . . -154.9 149.12 19.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -38.64 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -172.51 64.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.466 ' CG2' HG23 ' A' ' 70' ' ' ILE . 1.5 p 39.82 53.86 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 10.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.657 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -125.9 -8.07 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 10.0 109.975 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 146' ' ' SER . 0.2 OUTLIER -115.53 -42.61 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 154' ' ' ASN . 7.5 t30 71.23 6.5 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 10.0 109.268 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -114.15 -53.36 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -129.89 65.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.523 ' CA ' HD12 ' A' ' 153' ' ' LEU . 1.6 t0 -112.21 144.71 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 189' ' ' LEU . 1.5 tt0 -39.1 -59.6 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.37 46.11 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 10.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -119.46 -8.28 9.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 10.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 190' ' ' LEU . 1.5 m -96.32 142.45 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.61 138.56 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 33.2 m-85 -155.81 84.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 10.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.556 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 8.6 mm -83.8 117.66 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 10.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.1 mp -127.66 111.81 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.556 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 16.8 p80 178.81 177.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.444 ' CA ' ' HA3' ' A' ' 181' ' ' GLY . 0.5 OUTLIER 76.99 -1.98 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 10.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.463 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 32.5 mt-30 -145.21 162.57 36.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 10.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 166.67 174.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.56 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 10.0 109.288 179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.4 t-20 -51.66 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.9 t 94.21 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 10.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.444 ' HA3' ' CA ' ' A' ' 167' ' ' GLU . . . 154.28 -121.22 1.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 10.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 59.78 146.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 10.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.412 ' C ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -41.63 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 1.2 mp -124.25 -68.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 47' ' ' LEU . 73.3 t -86.1 137.38 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.245 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.1 140.46 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 108.277 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -148.77 143.59 11.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' HIS . . . -176.91 177.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER 73.33 80.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.477 ' N ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 96.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 10.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 125.55 159.19 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.521 1.138 . . . . 10.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -58.17 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 10.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -167.06 155.95 10.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 10.0 109.652 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 3.8 t -85.41 75.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -36.77 108.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HA ' ' CG1' ' A' ' 185' ' ' VAL . 0.0 OUTLIER -84.65 88.98 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 10.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 184' ' ' ILE . 97.7 t -108.81 105.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.6 p30 -98.6 -170.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.7 tpt85 -28.76 -89.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.3 mt-10 -105.62 -31.6 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -29.41 -40.74 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' GLU . 16.0 tttm 72.49 -52.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 10.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -151.07 128.73 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.582 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 1.5 m -113.48 12.68 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' CD1' ' A' ' 47' ' ' LEU . . . 137.15 -129.62 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.107 . . . . 10.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.1 p90 177.79 162.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 10.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 71' ' ' HIS . 1.6 mp -124.29 97.65 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 pt-20 -122.66 129.04 51.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.627 HG21 ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.2 146.69 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -149.49 107.25 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -37.72 120.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -96.55 -113.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 170.6 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.84 -69.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -134.74 -166.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.09 -91.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 10.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' OG1' ' A' ' 145' ' ' THR . 1.7 pt? -127.45 148.69 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 10.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.6 m-20 -135.03 11.21 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 69' ' ' ASP . 2.1 mm -139.52 163.59 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 10.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.869 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 76.86 46.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.563 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.579 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -162.17 56.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.15 177.5 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 10.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 134' ' ' GLY . . . -145.98 172.55 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.89 -11.13 31.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 10.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.576 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER 71.65 86.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 10.0 110.024 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' ' CG1' ' A' ' 55' ' ' VAL . 1.1 mt -34.52 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 157.97 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 10.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 56.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 10.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 26.88 45.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 10.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -63.83 150.05 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 10.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 47.7 m -96.55 107.39 19.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -108.85 112.46 24.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.46 137.24 9.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.722 ' CG ' ' CE2' ' A' ' 163' ' ' PHE . 6.7 p90 -133.37 157.97 44.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 10.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -176.88 137.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 10.0 109.626 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -46.28 110.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -150.75 143.54 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 10.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.47 143.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 10.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 5.0 pttt -106.99 92.97 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 10.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.04 166.25 11.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.417 ' CB ' ' CB ' ' A' ' 188' ' ' ALA . 37.5 p -86.08 147.6 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 10.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.47 99.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 108.322 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.6 m -144.37 69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 64.86 88.8 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.01 -38.32 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER 79.55 -70.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER 167.1 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 111.03 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.88 -67.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t 55.59 99.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 109.995 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.58 83.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.24 -140.74 6.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 10.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.7 150.31 22.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -74.98 -87.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 10.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 10.0 110.99 -179.986 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -174.12 143.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 10.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.37 3.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.02 25.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -84.11 62.84 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 10.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.57 70.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.3 OUTLIER -119.7 59.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 10.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 36.73 -150.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.71 -54.35 2.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 10.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -89.41 21.52 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 10.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.576 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 61.49 42.05 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 10.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 39.23 25.92 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 10.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 133' ' ' ASP . 9.9 mtpt -90.2 59.34 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.585 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 12.7 t -113.01 58.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.601 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 20.9 p-10 -77.44 177.85 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.601 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 4.6 m 55.0 163.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.482 ' CD1' HG12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -129.73 -169.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 10.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 3.3 mtt -119.86 94.96 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.6 t30 62.33 146.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.48 143.47 44.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 10.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 10.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.54 47.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 10.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.498 ' OG1' ' CD2' ' A' ' 68' ' ' LEU . 68.5 p -103.81 65.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -79.38 119.4 22.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.021 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.44 HD13 ' CB ' ' A' ' 68' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 10.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 3.9 pp -88.57 61.02 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -90.89 37.52 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 10.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.418 ' CD1' ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.68 -34.38 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.445 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.5 mt -85.53 -142.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -176.3 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.36 12.35 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 156' ' ' LEU . . . 81.62 -97.94 1.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -159.09 172.06 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 0.79 . . . . 10.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.4 113.93 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.722 ' CE2' ' CG ' ' A' ' 85' ' ' PHE . 5.0 m-85 -85.77 99.84 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.6 pt -96.07 101.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.498 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 3.2 mp -97.28 114.77 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.568 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 3.3 p80 -176.88 173.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.38 10.08 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 166' ' ' HIS . 9.7 mm-40 -88.85 174.61 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 170' ' ' ASP . . . -85.92 166.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 10.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . 31.0 m-20 53.83 171.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 10.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 180' ' ' SER . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -69.87 58.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 10.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.444 ' CB ' ' OD1' ' A' ' 171' ' ' ASP . 34.0 t -160.83 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -111.49 51.06 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.541 1.151 . . . . 10.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 178.95 143.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 10.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.568 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -59.05 124.22 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.554 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -141.46 -42.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.554 ' N ' HG12 ' A' ' 184' ' ' ILE . 9.1 t -85.6 112.23 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.97 131.47 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -135.57 -43.05 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 162' ' ' ALA . . . 58.27 166.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 10.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 30.2 mt 56.56 85.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 10.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 156' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -176.75 -178.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.73 138.94 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 10.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -67.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 10.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 10.0 109.562 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -123.72 58.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -84.86 145.39 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -119.48 101.16 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.426 ' N ' HG22 ' A' ' 185' ' ' VAL . 2.8 t -129.46 106.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' OD1' ' CG1' ' A' ' 185' ' ' VAL . 2.3 m-80 -87.95 152.38 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.12 -55.17 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' LYS . 75.5 mm-40 -95.63 -51.18 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 10.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -37.7 -29.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.108 . . . . 10.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' GLU . 19.2 tptt 71.36 -51.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 10.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . 176.67 121.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 4.5 m -90.46 21.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 111.27 -111.09 2.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 10.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER 170.66 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 10.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 9.2 mt -111.16 91.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 71' ' ' HIS . 52.6 mm-40 -95.52 128.39 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.55 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -110.96 174.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -167.63 72.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 10.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -11.46 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 t -67.1 -146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.68 38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.84 -84.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -156.36 158.28 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 142' ' ' ALA . . . 50.35 -164.67 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 10.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' A' ' 142' ' ' ALA . 0.1 OUTLIER -89.75 127.42 35.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -134.97 36.6 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' HA ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -84.5 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -115.48 80.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.594 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 58' ' ' ILE . 1.4 pp -106.52 125.29 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -156.05 110.68 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 10.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' GLY . . . -75.9 178.65 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 10.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' HB2' ' CA ' ' A' ' 56' ' ' GLY . 1.4 m-20 -95.9 -13.15 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.684 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.3 t 57.34 72.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 10.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.684 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.2 mt -11.29 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.567 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.86 -57.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 78.13 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.35 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 10.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' N ' HG11 ' A' ' 130' ' ' VAL . . . -82.85 148.54 27.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.546 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -102.24 94.96 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 10.0 109.99 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.22 96.78 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.66 126.65 7.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.699 ' CE2' ' CD1' ' A' ' 128' ' ' LEU . 38.4 p90 -170.92 85.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 10.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.412 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -178.74 63.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 10.0 109.603 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 2.5 pp -158.56 -173.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.2 p90 -147.47 59.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 10.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.67 104.21 14.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 126.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 10.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.448 ' C ' ' SG ' ' A' ' 93' ' ' CYS . 79.1 p -89.98 123.19 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 10.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 92' ' ' SER . 1.8 m 81.67 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.4 93.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.516 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -76.43 -50.67 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 10.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 10.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 1.7 p-10 172.22 157.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -127.73 -137.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.16 164.89 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 p -135.39 97.22 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.07 -111.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 10.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.67 177.88 52.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 157.54 43.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 10.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 10.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.68 115.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 10.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.06 151.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 10.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.08 15.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.771 . . . . 10.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.99 59.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 10.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.699 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 1.5 mt -133.32 60.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 10.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 130' ' ' VAL . 10.2 mt-10 -84.94 69.08 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 131' ' ' GLY . 2.6 p 33.29 -147.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 61.18 45.36 96.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 10.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 89.37 -7.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 129' ' ' GLU . 1.3 m-20 -52.92 -39.97 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -71.42 -17.05 75.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 10.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.68 59.36 5.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.766 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 73' ' ' SER . 0.0 OUTLIER -105.22 176.78 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 138' ' ' VAL . 7.3 p-10 -163.75 110.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 10.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 137' ' ' ASP . 0.3 OUTLIER 48.23 177.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 10.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.68 177.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.1 OUTLIER -142.28 155.99 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 10.0 110.987 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 140' ' ' MET . 4.0 t30 43.71 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -152.88 118.41 2.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.68 14.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 10.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 145' ' ' THR . 6.8 m-20 -51.2 -47.83 62.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 144' ' ' ASP . 0.2 OUTLIER 29.32 51.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.571 ' HA ' ' CB ' ' A' ' 153' ' ' LEU . 1.8 p -85.2 44.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.627 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.6 pp -76.21 54.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -80.2 7.72 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 10.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 146' ' ' SER . 0.7 OUTLIER -89.75 21.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 156' ' ' LEU . 3.9 pp -82.09 101.61 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 159' ' ' ASP . 0.4 OUTLIER -82.21 82.58 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.15 -61.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 10.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 9.7 t70 -83.58 -60.19 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 152.96 -105.31 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 10.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -92.08 161.73 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.61 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -142.92 108.81 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 15.0 m-85 -147.8 57.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.6 pt -86.03 143.44 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.459 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 2.6 mp -109.16 143.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 19.4 p80 176.96 178.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 109.6 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.6 OUTLIER 79.71 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 10.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 2.8 mm-40 -137.46 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 10.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -174.67 -80.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.18 115.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.319 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 178' ' ' GLY . 14.2 t-20 -32.68 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 10.0 109.248 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 1.7 m 81.83 36.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 110.05 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -76.67 0.22 65.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 61.24 144.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.9 81.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 10.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 1.5 mp -122.24 -64.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.459 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 1.5 p -112.28 146.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 10.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.65 146.81 36.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 188' ' ' ALA . . . -173.7 118.61 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 10.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 163' ' ' PHE . . . 165.66 103.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 188' ' ' ALA . 3.4 mt -151.97 77.9 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 25.6 p90 42.93 -171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.57 -161.83 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 10.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -62.89 -177.43 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 10.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -90.71 75.13 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 10.0 109.599 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 58' ' ' ILE . 2.0 p -122.03 86.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -97.46 100.86 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.506 ' CD2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -82.98 84.45 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 10.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 54' ' ' ALA . 3.4 t -113.12 114.74 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.485 ' HB3' ' CG2' ' A' ' 184' ' ' ILE . 0.1 OUTLIER -84.21 148.2 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -81.24 7.37 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 10.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 179' ' ' ASN . 7.0 mm-40 -104.61 -67.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.77 -78.21 1.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 10.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -178.77 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 10.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . . . 177.5 163.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 77' ' ' LEU . 10.6 m -106.75 -15.69 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.568 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . 162.24 -130.1 2.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.612 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 161.12 166.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 10.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.566 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.9 mp -108.53 118.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' OE2' ' CD1' ' A' ' 57' ' ' PHE . 2.0 mt-10 -154.6 82.13 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 10.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.669 ' CD1' ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -156.65 -176.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.15 139.44 54.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.97 151.27 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.3 p -105.23 124.11 48.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.3 60.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -66.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.62 -174.99 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 46.93 -133.33 12.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.446 1.092 . . . . 10.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -137.52 -114.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.77 . . . . 10.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.574 ' HB3' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -81.25 -176.89 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.7 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 2.3 pp -117.24 50.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.7 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 162.2 62.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 109.608 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.564 ' CG2' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -110.1 55.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 p -103.19 175.81 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . 172.95 85.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.451 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.2 m-80 -157.25 -43.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 10.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -62.93 105.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 10.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.04 -69.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 10.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.624 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 163.19 -60.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 10.0 110.315 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.06 44.65 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 10.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.57 51.84 0.31 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 10.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -82.83 176.67 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 10.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.492 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 72.3 m -91.62 151.74 20.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 10.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.5 ' CD1' HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -131.54 155.05 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -159.25 72.87 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.125 . . . . 10.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -103.39 165.49 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 10.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER 161.59 126.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 10.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.38 108.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 174.19 15.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 10.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 41.81 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' GLY . 11.0 ptmt -84.29 169.82 14.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . -51.42 -173.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 10.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.415 ' CB ' HG21 ' A' ' 164' ' ' ILE . 5.3 t -146.21 136.05 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 10.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 m 78.22 84.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 10.0 108.288 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.41 -52.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -145.2 140.16 15.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 10.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.42 141.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 54.17 104.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -55.73 24.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -140.18 151.66 45.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.985 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.6 -77.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.5 -106.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 10.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.85 -173.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 10.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 10.0 111.007 179.976 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 t0 57.85 170.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 10.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.0 156.28 69.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 10.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.64 78.76 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.9 mt -136.42 123.23 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -142.33 138.36 31.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 2.1 t -59.58 -145.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 10.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 59.17 26.02 60.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 90.06 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 10.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.495 ' CB ' ' HG3' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -46.53 -26.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 10.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -66.73 -29.02 74.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 10.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -83.53 74.63 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 10.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -114.03 110.75 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.7 p-10 -77.28 99.53 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.518 ' C ' ' CD1' ' A' ' 139' ' ' ILE . 4.2 m -80.8 100.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.518 ' CD1' ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -133.8 18.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 10.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.19 20.5 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -146.56 49.46 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.59 131.02 11.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.453 ' O ' ' OD1' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.97 -43.06 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 143' ' ' PRO . 0.1 OUTLIER 176.35 69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.436 ' OG1' HD21 ' A' ' 68' ' ' LEU . 43.6 p -85.39 69.41 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.27 96.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 10.0 109.273 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 156' ' ' LEU . 2.9 pp -73.43 66.83 1.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 10.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -99.67 10.31 41.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -14.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.508 ' CD1' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.45 -168.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.41 82.41 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 68.67 -72.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 10.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -147.87 46.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.61 76.44 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.508 ' OG ' ' CD1' ' A' ' 156' ' ' LEU . 0.5 OUTLIER -119.98 5.95 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 10.0 110.009 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 189' ' ' LEU . . . -83.13 136.3 34.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 0.3 OUTLIER -116.73 92.15 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 10.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.425 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 0.1 OUTLIER -86.77 123.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.479 ' O ' ' CG1' ' A' ' 185' ' ' VAL . 4.9 mp -85.75 126.45 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -165.97 175.94 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 10.0 109.583 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 1.5 mt-10 84.13 -10.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 2.2 mt-30 -146.77 164.49 32.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 86.47 148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 179' ' ' ASN . 6.4 p-10 165.2 119.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 10.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.2 OUTLIER -67.43 -142.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.7 p 85.52 53.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 10.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 182' ' ' ALA . . . -179.2 127.15 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 78.91 154.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 10.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.46 116.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 49' ' ' ASN . 1.2 mp -113.1 -39.04 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 165' ' ' ILE . 1.4 p -129.69 133.6 64.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 146.34 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 108.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -114.19 -20.32 5.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.559 1.162 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 60.64 117.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 10.0 109.256 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 162' ' ' ALA . 3.3 pp -155.04 58.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 14.6 m-85 47.85 22.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.78 -164.5 12.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.133 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.2 p80 41.22 86.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 10.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 40.0 t60 -117.78 160.59 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.493 HG22 ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -122.82 116.86 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.63 89.56 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 10.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 58' ' ' ILE . 3.2 mt -86.54 100.4 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.52 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 5.0 t -122.4 155.24 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.588 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 8.0 m-80 -112.02 -17.6 12.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 82.96 -7.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 179' ' ' ASN . 26.5 mt-10 -97.11 -74.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 10.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.49 -75.23 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.13 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 10.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.7 167.49 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.588 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -124.1 19.8 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -149.62 18.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 10.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -165.93 166.62 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 10.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -130.65 108.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 10.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' HG21 ' A' ' 60' ' ' ILE . 3.0 mm-40 -135.99 86.14 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.611 ' HB ' ' CB ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -135.09 144.36 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.67 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 175.19 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -150.78 158.13 43.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 10.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.5 -173.18 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -157.68 -103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.22 -35.67 7.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 67' ' ' GLY . 5.0 mm-40 -99.69 -170.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 10.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . -24.85 -99.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 10.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -159.41 139.55 11.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 10.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.17 59.35 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CB ' ' HB ' ' A' ' 60' ' ' ILE . 1.1 pp -79.93 152.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' H ' ' CG2' ' A' ' 60' ' ' ILE . 9.8 m170 -113.55 63.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 60' ' ' ILE . 1.3 mt -79.98 99.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 82.7 p -153.79 162.27 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 10.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.02 167.63 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 10.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -14.74 50.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 10.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 78' ' ' ARG . 3.4 t 45.84 56.56 5.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 10.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' CD1' ' ND2' ' A' ' 49' ' ' ASN . 7.2 mt 34.49 -91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 163.46 -55.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.04 109.21 2.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 10.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 30.84 65.97 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' ' OG ' ' A' ' 76' ' ' SER . . . -53.8 150.37 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 10.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 168' ' ' GLN . 3.1 m -145.77 59.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 10.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -109.21 116.2 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.19 117.43 5.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 10.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -98.73 138.48 35.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 10.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 6.4 p-80 167.89 123.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.522 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -84.72 106.35 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.9 m-85 -156.7 76.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 1.1 mt-10 179.69 -171.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -146.05 83.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 10.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 45.63 99.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 10.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.72 124.28 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.734 . . . . 10.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 134.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 10.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t 64.32 94.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 60.0 89.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 110.253 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.764 . . . . 10.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.9 OUTLIER 81.81 24.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 97' ' ' ASP . 0.3 OUTLIER 71.55 -58.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 10.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -39.75 125.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 10.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -159.93 157.98 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.53 90.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -156.59 -107.33 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 10.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.94 100.37 2.04 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.71 9.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 10.0 110.951 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.88 157.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 10.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.418 ' CD1' ' OE1' ' A' ' 129' ' ' GLU . 0.6 OUTLIER -106.9 156.78 36.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 10.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 128' ' ' LEU . 3.6 m-20 -81.32 74.94 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 127' ' ' ASN . 9.6 mt -148.49 59.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.553 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -155.76 58.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 10.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.578 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 1.5 m -164.34 179.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.578 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -35.87 104.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 10.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . . . 40.43 32.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 10.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.442 ' HB2' ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -68.19 -14.09 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' H ' ' CB ' ' A' ' 76' ' ' SER . . . -88.22 2.79 85.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 10.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 56.88 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 72' ' ' ILE . 1.5 t -127.67 120.1 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.516 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -137.29 177.01 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.516 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 64.11 154.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.576 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -129.52 128.49 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 16.5 mtp -84.81 88.16 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 140' ' ' MET . 28.1 t30 82.86 95.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.431 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -82.8 134.36 47.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 10.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.06 -61.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.56 59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 10.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 2.6 p -95.44 59.91 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 10.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 62.8 p -78.29 109.05 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.292 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.5 ' CD2' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -32.91 -58.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 11.0 t-20 76.79 16.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -115.56 -33.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.529 ' CD1' ' HA2' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -83.64 -152.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 159' ' ' ASP . 18.6 t70 -86.16 42.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.44 -61.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 10.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -83.17 -60.47 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.529 ' HA2' ' CD1' ' A' ' 156' ' ' LEU . . . 167.72 -162.8 36.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 10.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.51 ' CB ' HG12 ' A' ' 87' ' ' ILE . 2.5 t -164.25 -162.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 10.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -156.02 148.27 23.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 10.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.21 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.9 mt -87.57 116.37 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.8 mt -93.37 60.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 183' ' ' ARG . 15.1 p-80 -91.46 169.72 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 10.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 70.38 13.94 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 10.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.471 ' CG ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -82.32 176.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 110.259 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -171.99 -166.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 10.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.96 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 10.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 178' ' ' GLY . 1.8 m-80 -171.51 121.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 168' ' ' GLN . 5.0 t -104.57 -65.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 10.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -168.64 -133.21 1.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.472 1.108 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.423 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 53.89 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 10.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.502 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 3.4 mtm105 -73.44 133.4 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.471 HD12 ' CG ' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -126.03 -97.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.52 ' CG1' ' HB ' ' A' ' 48' ' ' VAL . 2.4 t -101.44 147.41 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 187' ' ' GLY . 0.5 OUTLIER -137.5 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 108.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 188' ' ' ALA . . . -55.07 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.123 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 187' ' ' GLY . . . 151.68 83.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.3 mt 67.94 132.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -100.86 110.96 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 10.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.08 -164.94 39.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.099 . . . . 10.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 190' ' ' LEU . 3.6 m80 -69.82 -169.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 10.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -159.95 166.6 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -101.84 114.52 41.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 10.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CA ' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -74.88 91.74 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 4.5 mt -97.31 93.42 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.83 128.04 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -100.43 168.34 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -33.7 70.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.71 -69.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.85 -46.24 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 12.0 tttp 92.46 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 10.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 178.86 118.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 8.7 m -83.97 -9.59 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 10.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.18 -113.4 0.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 10.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 163.51 163.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 10.0 110.964 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 47' ' ' LEU . 3.9 mp -99.05 104.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -115.87 114.53 24.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CG2' HG22 ' A' ' 70' ' ' ILE . 15.9 mt -103.37 114.63 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -108.14 79.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . 1.6 mt-10 -36.19 154.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 110.335 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . 51.7 m -115.75 -81.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 10.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -65.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.22 -51.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 10.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 67' ' ' GLY . 18.2 pt-20 -83.82 -164.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -31.51 135.85 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 10.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.76 166.01 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -85.14 66.09 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 10.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.535 HG13 ' CD1' ' A' ' 139' ' ' ILE . 2.5 pp -81.47 127.12 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.14 71.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 10.0 109.606 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 1.2 pp -100.24 71.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.6 p -108.45 132.01 54.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 163.94 126.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' HG21 ' A' ' 55' ' ' VAL . 8.0 m120 -152.76 -68.94 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.595 ' CB ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -168.2 79.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 3.7 pp -83.79 114.53 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 10.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.517 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.68 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 10.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.707 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -149.21 42.32 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 10.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.707 ' CB ' ' O ' ' A' ' 80' ' ' GLY . . . 146.07 62.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.493 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 42.2 m -160.15 58.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -119.51 119.52 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 10.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.15 134.5 8.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -153.53 138.31 17.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 10.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' ILE . 59.4 t-80 -166.43 110.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 10.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' HIS . 8.3 mm -38.88 111.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 174.41 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -118.39 64.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.84 82.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.78 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 10.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -153.65 -60.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.753 . . . . 10.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.66 139.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 10.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.8 t 65.72 72.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 10.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 64.4 94.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 10.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t0 173.7 87.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 54.7 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.82 137.95 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.77 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.78 68.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 10.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.08 118.22 0.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 10.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.85 157.46 24.63 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 10.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 10.0 110.988 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.4 169.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 10.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 113.9 54.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.8 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.476 1.777 . . . . 10.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 4.4 m120 61.4 167.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.536 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER 84.02 83.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 10.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.599 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 1.4 pt-20 -123.73 66.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 10.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.58 ' CG1' ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 163.42 125.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 76' ' ' SER . . . -42.44 -42.41 4.47 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 10.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 135' ' ' LYS . . . -55.83 -41.65 74.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 10.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 1.2 t70 -45.59 -31.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.64 -24.07 65.79 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 10.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' ALA . 2.5 mttt -86.28 56.61 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.47 126.24 74.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.536 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 20.4 p-10 -174.09 -178.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.536 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 67.44 137.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 10.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.535 ' CD1' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -138.77 168.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -134.71 103.14 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.1 t30 79.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.37 132.7 46.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.56 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 10.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.425 ' C ' ' OD2' ' A' ' 144' ' ' ASP . 31.8 t0 -179.98 74.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.84 61.23 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 10.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.527 ' HB2' ' CD2' ' A' ' 153' ' ' LEU . 0.7 OUTLIER 77.57 4.96 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 10.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.561 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.4 mttt . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.561 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER 25.56 78.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -88.99 -11.91 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 10.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CD1' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -109.22 -23.31 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 155' ' ' ILE . 2.9 mm? -83.75 -125.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 5.0 t0 -112.78 145.24 40.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -22.05 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.66 -68.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 157' ' ' ASP . . . -144.87 -122.35 1.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -153.8 112.01 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 10.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 189' ' ' LEU . . . -109.37 104.73 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 161' ' ' SER . 10.3 m-85 -109.75 80.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.23 118.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.471 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 3.4 mp -88.71 139.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 1.5 p-80 -179.86 178.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 6.7 mt-10 85.72 -31.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 71.7 mt-30 -156.89 174.93 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 87.02 -158.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 10.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 181' ' ' GLY . 0.0 OUTLIER 74.28 -66.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 10.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.625 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.7 OUTLIER -57.57 -68.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 10.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.0 t 96.05 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 170' ' ' ASP . . . 177.9 -130.33 1.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 10.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.43 166.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 111.77 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 10.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.502 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -132.33 -37.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 10.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' VAL . . . . . 0.502 ' N ' HG12 ' A' ' 184' ' ' ILE . 1.0 OUTLIER -110.86 124.33 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.19 139.81 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 108.305 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.416 ' CA ' ' N ' ' A' ' 46' ' ' GLN . . . -105.68 -169.21 23.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 10.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 189' ' ' LEU . . . -126.19 77.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.499 ' HB3' ' CB ' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -35.25 149.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 10.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 10.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -136.11 162.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.41 176.08 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 t -145.73 156.37 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 10.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -71.44 -177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 10.0 110.007 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -88.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 10.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -79.62 170.74 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 10.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.32 -175.99 14.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 3.0 t-160 58.01 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 10.0 109.57 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 37.2 m80 -149.74 168.82 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.526 ' HB ' ' CA ' ' A' ' 187' ' ' GLY . 4.3 m -90.06 104.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 10.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -110.13 99.22 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 10.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 1.5 p -129.6 153.18 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 10.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.524 HD21 ' N ' ' A' ' 49' ' ' ASN . 1.3 m-80 -129.19 145.23 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.56 68.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -119.6 -40.48 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 10.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -44.35 -39.18 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 10.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 7.3 tptt 88.25 -13.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 10.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -55.46 145.37 22.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.434 ' CG2' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -155.63 27.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -73.26 -134.48 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 10.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 174.44 162.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 10.0 110.984 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 13.7 mm -86.51 84.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -86.6 93.38 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 10.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.46 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 2.3 pt -96.51 129.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -128.57 72.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 10.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.7 pp20? -31.02 137.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -145.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 10.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.06 80.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.55 -79.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -155.09 155.86 34.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 10.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' CA ' ' HB1' ' A' ' 142' ' ' ALA . . . 45.82 -100.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 10.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 139' ' ' ILE . 0.3 OUTLIER -145.38 173.68 11.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 10.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -156.09 37.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.536 ' O ' ' CG2' ' A' ' 139' ' ' ILE . 0.3 OUTLIER -84.18 171.31 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 10.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 8.5 t-80 -121.43 63.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -85.83 92.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 10.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 p -155.04 124.15 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 134' ' ' GLY . . . -82.66 172.92 12.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' SER . 24.7 p30 -155.56 -173.28 4.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 20.9 t 66.25 57.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 10.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' CD2' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.85 -152.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.555 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.73 -57.53 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -74.97 161.23 39.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 10.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 48.32 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 10.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 169' ' ' ALA . . . -97.28 172.51 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 13.8 m -98.13 157.72 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -137.08 61.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 168' ' ' GLN . . . 116.51 175.08 17.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 10.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 21.0 t80 -149.27 169.6 20.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.48 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 m170 -60.6 168.34 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.636 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 87' ' ' ILE . 1.3 pt -52.35 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -155.95 59.75 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 10.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 90' ' ' LYS . 2.4 tt0 -165.56 151.43 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 10.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -100.54 105.83 17.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 10.0 109.259 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA3' ' CG1' ' A' ' 94' ' ' VAL . . . 63.4 149.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 10.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 188' ' ' ALA . 0.3 OUTLIER -83.71 102.95 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.003 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.6 m 47.51 58.77 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 4.8 p -150.09 21.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -157.14 120.54 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -88.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -170.93 102.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -167.43 -63.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.99 89.27 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 10.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m 52.96 92.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.04 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.21 -58.98 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.22 -104.3 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 10.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 38.09 -154.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.51 1.795 . . . . 10.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -129.27 177.68 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 65.07 160.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.62 2.97 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 10.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 10.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 46.98 89.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.02 75.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -127.56 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 120' ' ' HIS . 23.7 t60 56.23 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 10.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -134.06 113.02 1.12 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.41 -29.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.94 83.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 171.83 6.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.66 11.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.802 . . . . 10.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 15.5 mmt -80.62 -48.69 12.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 85.05 169.94 46.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 10.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 122' ' ' ALA . 6.2 t-80 -165.19 157.33 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 10.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.65 -46.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 10.0 109.596 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.578 ' HB2' ' CE1' ' A' ' 120' ' ' HIS . . . 71.81 -84.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 10.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.49 38.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 10.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.23 149.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 10.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.49 147.79 44.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 10.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 147.27 33.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 10.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -82.83 63.3 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 pp -164.3 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 130' ' ' VAL . 0.9 OUTLIER -112.41 59.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 10.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 79' ' ' PRO . 3.7 t 51.55 176.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.44 -5.9 24.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -157.25 26.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 10.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.82 27.8 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 55.84 29.96 55.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 10.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 63.5 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 0.9 OUTLIER -109.32 96.76 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 23.4 p30 -111.06 118.16 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -93.55 110.6 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.555 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -153.19 41.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 9.2 mtp -142.43 105.7 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.6 t30 65.31 119.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 145' ' ' THR . . . -139.23 156.45 72.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 10.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -165.57 68.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 10.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 142' ' ' ALA . 29.8 p -100.55 61.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 145' ' ' THR . 4.5 pp -90.96 18.76 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.68 9.31 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -62.3 -31.39 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 125.61 45.57 0.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 10.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -172.39 49.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 10.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt 59.27 -87.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.504 ' O ' ' CD1' ' A' ' 156' ' ' LEU . 0.3 OUTLIER -132.61 94.55 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -85.82 31.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 156' ' ' LEU . 1.1 pt -103.17 48.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -83.54 96.67 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.61 99.6 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 10.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 74.62 -56.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 10.0 110.249 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -150.29 59.3 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 159' ' ' ASP . . . 2.41 -108.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 10.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -120.53 104.35 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 10.0 109.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -100.31 139.59 35.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 10.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 161' ' ' SER . 33.8 m-85 -148.2 85.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 10.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.557 HG13 ' CD2' ' A' ' 166' ' ' HIS . 5.0 tp -86.92 124.82 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.439 HG23 ' ND2' ' A' ' 49' ' ' ASN . 1.6 mp -100.61 79.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.655 ' HD1' ' N ' ' A' ' 167' ' ' GLU . 0.1 OUTLIER -176.94 176.44 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 10.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.655 ' N ' ' HD1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 77.7 -4.76 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 0.7 OUTLIER -137.78 152.35 49.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 10.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . 174.79 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 10.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 55.3 t0 63.12 34.67 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 171' ' ' ASP . 16.1 p-10 -73.93 101.98 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -67.26 78.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 174' ' ' THR . 0.3 OUTLIER -130.14 -62.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 173' ' ' LEU . 0.6 OUTLIER 40.14 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.416 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.499 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.3 m-20 163.47 -52.71 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 10.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.99 -79.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 10.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.3 t -177.51 52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 10.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -63.86 -119.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.135 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 180' ' ' SER . 6.0 m-20 164.6 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.0 OUTLIER 88.13 20.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 10.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 146.98 102.75 0.31 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 10.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 173.01 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.764 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.527 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.7 ptt85 -65.78 129.83 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.563 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.3 OUTLIER -146.87 -43.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.563 ' N ' HG12 ' A' ' 184' ' ' ILE . 41.5 t -123.42 166.01 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 164' ' ' ILE . 8.6 p -156.12 179.34 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.526 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 177.7 36.61 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.57 1.169 . . . . 10.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . . . -92.99 97.27 10.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 10.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 189' ' ' LEU . 6.3 tt -106.43 76.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 10.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 159' ' ' ASP . 0.1 OUTLIER -86.16 107.55 17.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -45.15 151.89 0.8 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.54 136.54 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 10.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -162.09 135.39 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -166.05 147.07 6.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 10.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -170.31 171.33 6.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.288 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.8 m -128.56 33.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.02 96.98 3.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -138.36 110.66 7.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 10.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -156.1 25.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 10.0 109.995 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' O ' ' CD2' ' A' ' 41' ' ' PHE . . . 60.87 -103.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 29.8 p90 44.21 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 111.047 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.64 -99.83 1.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' N ' ' HA2' ' A' ' 191' ' ' GLY . 0.2 OUTLIER -61.74 -157.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 10.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 177.45 133.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 10.0 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.605 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.5 t -84.4 99.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 pt20 -72.54 95.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 10.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -94.85 88.23 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' ' CG1' ' A' ' 185' ' ' VAL . 7.2 p -117.63 126.88 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.482 ' CA ' HG21 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -91.15 150.16 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -28.46 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.9 mt-10 -129.55 -52.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -37.53 -29.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 10.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.7 tttt 86.74 -41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 10.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 163.58 147.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 2.8 m -86.82 -10.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 146.99 -95.14 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 10.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 167.43 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 10.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 47' ' ' LEU . 10.1 mm -119.48 96.96 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 10.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 10.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.403 ' CD1' ' HA3' ' A' ' 191' ' ' GLY . 0.1 OUTLIER -83.46 138.2 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -124.74 99.03 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.3 mp0 -34.88 127.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.461 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 22.8 t -113.83 -149.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -173.05 78.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.5 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 pt-20 -146.47 149.7 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.07 -103.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 10.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -142.39 108.95 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 10.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 1.6 t70 -95.03 49.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.505 HG12 ' CD1' ' A' ' 147' ' ' LEU . 0.8 OUTLIER -91.78 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.29 102.21 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -138.31 117.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 10.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -157.13 85.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . . . -177.57 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -110.68 -10.65 14.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.53 ' OG ' ' CA ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -130.39 120.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 10.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -49.07 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.7 ttt180 152.97 -44.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -74.96 64.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.45 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 10.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -64.04 175.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 10.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 6.4 m -112.85 112.44 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 10.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -138.41 133.74 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 10.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.54 132.74 7.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 10.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 -125.93 157.09 38.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 10.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 169.8 121.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 10.0 109.616 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.469 ' HB ' ' CD2' ' A' ' 156' ' ' LEU . 1.5 pt -78.14 73.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -154.66 67.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -178.27 -172.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 136.91 39.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' CA ' ' HB3' ' A' ' 162' ' ' ALA . . . -88.71 117.19 4.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 10.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.93 106.82 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 10.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.0 t -145.66 100.27 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 108.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 96' ' ' PRO . 5.4 p -147.38 151.04 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 1.7 mpt_? -36.67 -55.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 10.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.04 -83.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 10.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 70.52 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.46 -30.23 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 10.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.34 172.4 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 10.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.81 168.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 47.19 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -117.55 -118.73 2.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.13 . . . . 10.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . 37.06 -98.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 10.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 106' ' ' ASN . 1.9 m-85 -129.64 65.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 105' ' ' PHE . 5.1 m120 38.84 65.96 2.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 10.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.08 5.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 10.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -44.27 -91.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 108' ' ' LEU . 0.5 OUTLIER 43.16 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.71 62.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' ASN . 5.8 mm-40 -124.67 -60.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 40.56 51.54 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -108.06 -163.19 21.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 10.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -90.6 -15.21 30.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 175.89 119.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.621 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -176.45 -58.66 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 10.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.0 Cg_endo -75.03 -157.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.787 . . . . 10.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -14.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 10.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 117' ' ' PRO . . . -178.91 -84.73 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 10.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -179.4 171.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 10.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 34.9 m170 62.5 -103.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.58 -67.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 10.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -162.8 -42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 10.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.12 125.14 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 10.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -145.02 73.27 14.71 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 10.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.5 35.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 10.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.34 70.7 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.68 59.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 10.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 130' ' ' VAL . 3.1 pt-20 -91.13 58.88 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.528 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 1.0 OUTLIER 35.03 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.81 61.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 10.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -142.68 15.65 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.26 40.23 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' OG ' ' A' ' 76' ' ' SER . . . 48.12 44.1 25.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 10.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 79.61 9.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 10.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.05 100.66 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -94.32 90.37 6.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 10.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -74.08 104.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 138' ' ' VAL . 3.2 mm -138.12 10.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.7 mtm -156.45 158.34 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.4 OUTLIER 77.3 46.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' A' ' 145' ' ' THR . . . -138.58 116.48 9.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 10.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.41 63.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 142' ' ' ALA . 12.1 p -115.63 39.18 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.43 120.77 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.505 ' CD1' HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -85.52 47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -172.54 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 151' ' ' SER . 0.6 OUTLIER -42.93 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -54.43 86.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 10.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 149' ' ' LYS . 0.2 OUTLIER 170.83 41.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 10.0 109.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -58.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 10.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -17.98 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.3 p-10 -80.08 54.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 34.6 pt -84.5 -22.28 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 87' ' ' ILE . 4.5 pp -111.15 -40.92 4.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 7.1 t70 -135.89 148.02 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 10.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.28 -15.86 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 10.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.72 -36.99 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 149.61 -110.85 0.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 10.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 156' ' ' LEU . 68.6 m -138.73 175.1 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.407 ' HB3' ' CA ' ' A' ' 91' ' ' GLY . . . -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CE2' ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -146.55 74.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 186' ' ' CYS . 3.3 mt -85.02 133.0 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.544 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.2 mp -83.55 112.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.483 ' HA ' ' CG1' ' A' ' 184' ' ' ILE . 30.1 p-80 -158.47 176.02 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.75 9.39 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 10.0 110.255 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 2.8 mm100 -96.39 175.45 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' OG ' ' A' ' 82' ' ' SER . . . -116.28 96.54 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.99 141.2 47.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.05 98.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 172' ' ' TYR . 60.9 t80 -82.43 63.78 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' THR . 27.4 mt -127.68 -53.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 10.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 173' ' ' LEU . 0.8 OUTLIER 38.2 85.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 10.0 110.361 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.512 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.4 m-20 163.99 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.5 Cg_endo -74.97 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 10.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.8 OUTLIER 161.94 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 179' ' ' ASN . . . -73.48 -121.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 10.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 178' ' ' GLY . 4.1 p30 158.03 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 10.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 77.9 p -135.0 61.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 10.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 173.39 78.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 10.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 58.84 156.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 66.77 75.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -135.14 -98.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 10.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.482 HG21 ' CA ' ' A' ' 49' ' ' ASN . 12.2 t -104.77 149.92 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 10.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 164' ' ' ILE . 0.5 OUTLIER -116.65 178.21 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . 160.42 115.16 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 10.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' A' ' 45' ' ' VAL . . . -165.24 177.03 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 10.2 mt 63.23 80.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 163' ' ' PHE . 17.4 mt -45.54 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 60' ' ' ILE . . . -69.98 82.57 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.122 . . . . 10.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -109.82 177.84 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 10.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -177.85 101.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.75 128.81 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 10.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -100.43 170.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 10.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 4.6 tp10 -124.98 -54.11 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 10.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER 37.93 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -116.3 177.8 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -178.63 120.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 10.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.495 ' CD2' ' HB2' ' A' ' 61' ' ' LYS . 7.1 m-85 -82.45 -45.92 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.67 82.34 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 10.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m80 50.08 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 10.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 p80 179.07 122.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG1' ' CA ' ' A' ' 187' ' ' GLY . 0.2 OUTLIER -92.47 94.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -50.41 127.82 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 10.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' CG1' ' A' ' 58' ' ' ILE . 3.2 mt -93.6 96.13 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.76 106.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LYS . 5.5 m-80 -82.62 169.39 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.8 11.08 8.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.26 15.68 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.69 -60.21 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 10.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 18.9 tttm -162.34 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 53' ' ' LYS . . . -147.62 141.84 26.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 77' ' ' LEU . 13.2 m -122.69 -1.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -140.55 -153.72 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 10.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 175.54 168.93 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 10.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 ' CG1' HD21 ' A' ' 47' ' ' LEU . 48.8 mm -95.48 72.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 57' ' ' PHE . 3.1 mt-10 -88.54 68.79 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 147' ' ' LEU . 61.2 mt -85.22 121.19 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HB2' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -124.31 94.43 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 51.4 mm-40 -34.07 128.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -98.96 -150.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -175.7 63.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.92 -72.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 40.8 mt-10 -155.4 151.19 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 10.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.97 -148.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 10.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 145' ' ' THR . 0.1 OUTLIER -99.22 105.75 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.52 38.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.562 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.5 pp -91.18 175.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -133.32 99.94 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 10.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.8 pp -131.16 116.51 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 10.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 15.2 m -113.12 170.66 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.059 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 163.44 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 77' ' ' LEU . 16.8 t30 -134.07 -29.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 10.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.419 ' C ' HG23 ' A' ' 55' ' ' VAL . 3.7 t -67.33 58.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 75' ' ' ASN . 4.2 mp -77.81 -71.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.569 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.01 -58.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 10.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.05 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 10.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.83 38.98 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.56 175.38 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 10.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 53.9 m -84.53 136.33 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 83' ' ' LEU . 2.2 mm? -118.23 59.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.49 ' HA3' ' CD2' ' A' ' 125' ' ' LEU . . . -33.44 149.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 10.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -136.78 122.3 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 10.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 30.4 t-80 86.88 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -139.25 -98.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 10.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' GLU . 68.1 t80 -154.79 173.77 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 88' ' ' TYR . 2.0 pt-20 -73.05 91.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 10.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.61 134.52 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.26 75.62 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.72 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 10.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER 72.54 -65.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 71.9 t -38.84 142.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 94' ' ' VAL . 13.7 tpt180 85.07 100.94 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 90.92 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 10.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' GLU . 1.2 m-20 67.78 -153.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 69.45 -59.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -45.65 160.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 10.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -108.05 117.15 33.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.91 -75.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.95 -109.55 0.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 10.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.98 -123.78 25.59 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 10.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 45.1 p90 -89.28 176.5 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 7.6 p-10 -134.42 108.12 11.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 10.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.91 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -28.76 3.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -152.92 -66.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 13.8 ptpt -119.4 -133.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER 174.61 -68.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.425 ' HA ' ' CA ' ' A' ' 119' ' ' GLY . 25.4 p-80 -40.33 113.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.588 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -112.64 46.71 1.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 10.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 68.29 -62.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 113' ' ' GLY . 22.3 t-20 -162.75 90.93 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.1 m-20 -156.21 175.05 3.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -75.02 -22.29 14.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 10.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.22 40.83 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' A' ' 112' ' ' HIS . . . -100.2 -73.51 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.107 . . . . 10.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -99.3 -5.58 29.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 10.0 109.57 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 5.6 m-70 38.01 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.622 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -132.0 39.79 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.99 3.47 9.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 10.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 122' ' ' ALA . 11.2 m-20 -77.98 162.72 26.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.49 ' CD2' ' HA3' ' A' ' 84' ' ' GLY . 5.3 mp -135.28 62.56 51.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 10.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 5.3 m-20 152.83 144.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER 45.43 74.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 10.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.0 pt-20 -98.71 58.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 79' ' ' PRO . 1.5 t 39.51 -151.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.9 -54.14 2.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 10.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -69.81 -34.61 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.9 OUTLIER 85.11 55.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 10.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 75' ' ' ASN . . . 94.54 74.05 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 55.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 10.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -149.48 90.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 10.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.545 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 15.0 p-10 -136.99 138.05 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 14.6 m 50.3 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.26 100.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -84.38 135.85 34.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' MET . 12.7 t30 82.04 84.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.11 154.8 71.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -167.6 46.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 1.1 p -64.19 88.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 148' ' ' LYS . 1.2 m -112.75 65.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 110.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 60' ' ' ILE . 5.2 mt -37.37 -32.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 10.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER 179.73 83.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 10.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -133.11 -78.14 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -57.07 -51.01 59.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 10.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.43 -60.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 0.784 . . . . 10.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 153' ' ' LEU . 45.1 mttt -149.19 164.21 35.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -37.64 -63.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 24.9 t-20 70.58 20.5 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CD1' ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -139.41 -43.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 155' ' ' ILE . 0.3 OUTLIER -84.87 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' ASP . 37.6 t70 -114.05 87.63 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.478 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 0.7 OUTLIER 59.27 -84.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 157' ' ' ASP . 3.5 m-20 -144.37 54.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -163.33 140.16 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 10.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 3.0 t 155.91 143.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 10.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.435 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -158.6 178.3 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 8.7 m-30 -94.32 118.47 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 10.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.5 118.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.601 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 1.4 mp -96.88 74.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 183' ' ' ARG . 8.0 p-80 -115.43 175.92 5.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 125' ' ' LEU . 0.3 OUTLIER 67.54 24.29 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 10.0 110.339 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.809 ' NE2' HD22 ' A' ' 179' ' ' ASN . 2.9 pt20 -82.69 167.85 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.47 -175.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -65.33 -174.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 28.4 p-10 -155.86 57.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.2 OUTLIER 67.92 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 10.0 111.019 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.89 107.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.584 ' CG2' ' N ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER -90.74 -46.41 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.562 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.9 OUTLIER 163.96 -55.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.96 -91.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 10.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 179' ' ' ASN . 0.4 OUTLIER -123.51 65.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 110.014 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . 34.85 35.27 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.809 HD22 ' NE2' ' A' ' 168' ' ' GLN . 8.6 t30 33.75 75.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 10.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.85 40.65 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 182' ' ' ALA . . . 131.01 106.71 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 10.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 181' ' ' GLY . . . 161.91 133.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 10.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.453 ' HG3' ' CB ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -63.08 114.97 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 10.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.443 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -125.43 -42.11 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 10.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 10.6 p -100.62 118.03 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 10.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.89 128.96 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 10.0 108.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' ALA . . . -112.3 -48.5 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' GLY . . . 32.67 54.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 55.2 mt -155.59 62.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 161' ' ' SER . 2.1 pp -102.81 133.35 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 110.38 -83.26 0.32 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.484 1.115 . . . . 10.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.04 152.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -93.91 132.66 38.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 173.37 111.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -118.34 -66.81 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 10.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 10.0 110.265 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.23 176.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 10.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.16 179.7 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -145.86 169.96 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.7 m 75.08 141.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 39' ' ' SER . . . 168.3 98.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 10.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -133.16 107.61 8.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 10.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.91 -152.28 7.12 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -72.57 -160.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 10.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.65 95.44 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.617 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 17.6 m -132.68 113.3 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -97.47 91.94 5.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.0 84.42 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 0.5 OUTLIER -136.93 121.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 10.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.551 ' ND2' ' CD2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.04 107.14 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.54 -94.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 10.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -143.24 -11.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -24.79 -57.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 11.4 tptt 172.52 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 83.48 153.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 15.4 m -84.58 -32.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' HB1' ' A' ' 74' ' ' ALA . . . 141.6 -115.31 0.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 10.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -170.13 174.45 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 10.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.403 ' C ' ' HG2' ' A' ' 59' ' ' GLU . 21.0 mm -114.13 119.36 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 31.9 mm-40 -149.22 85.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -100.07 175.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -140.3 109.3 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 10.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.33 144.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 10.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -132.36 -149.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -150.77 66.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.26 -70.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.7 tt0 -145.06 -154.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.29 130.12 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 10.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 147' ' ' LEU . 4.9 mp -85.5 84.13 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' HA ' ' CG2' ' A' ' 60' ' ' ILE . 7.3 m-20 -160.42 52.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.592 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 20.4 mm -84.25 56.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.3 m170 154.97 59.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 HG22 ' CG2' ' A' ' 60' ' ' ILE . 1.8 pp -114.51 68.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 10.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.564 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 48.2 p -83.04 176.19 9.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 88.47 57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 128' ' ' LEU . 2.1 m-20 -121.81 -15.73 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.4 OUTLIER -145.67 108.11 4.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 10.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.551 ' CD2' ' ND2' ' A' ' 49' ' ' ASN . 1.2 mp -49.46 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 161.11 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.05 58.84 5.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 10.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 34.11 70.33 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -103.61 175.99 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 10.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 168' ' ' GLN . 16.6 m -121.03 126.11 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -114.7 138.58 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.61 -155.1 24.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 10.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 15.5 p90 -177.77 97.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER 177.02 116.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 109.589 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 161' ' ' SER . 1.1 tp -81.2 149.52 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -84.27 170.05 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 10.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -114.42 -17.71 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 10.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -105.24 27.62 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 161' ' ' SER . . . 70.77 160.11 3.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 10.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' HB1' ' A' ' 162' ' ' ALA . 1.4 t -83.92 98.18 9.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 10.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.3 m 52.07 64.45 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 108.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -148.65 115.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 63.31 86.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 10.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 10.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -175.13 61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 22.3 p90 -127.46 78.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.16 59.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 10.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.5 m 59.0 104.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 10.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.09 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -81.25 -120.95 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.1 . . . . 10.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.19 178.52 52.43 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -166.77 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 10.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.52 124.69 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.55 107.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 10.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 10.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -153.3 -69.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -167.29 50.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 10.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.419 ' OE1' ' CG ' ' A' ' 118' ' ' MET . 14.5 mt-10 -42.41 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.65 152.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 10.0 109.635 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.31 132.09 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 10.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -52.16 -38.83 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.46 73.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 10.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.27 172.13 3.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 10.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.85 8.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 10.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.419 ' CG ' ' OE1' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -96.54 -25.97 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.994 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 118' ' ' MET . . . 53.79 -164.18 2.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 10.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 3.9 p-80 -92.78 -99.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 10.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -115.68 174.47 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 109.622 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.09 46.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -73.97 5.81 23.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 68.08 111.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . 1.2 pp -84.27 113.61 49.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -75.05 163.16 35.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.408 1.741 . . . . 10.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.45 67.29 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 10.0 109.268 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.505 ' CD2' ' ND2' ' A' ' 75' ' ' ASN . 1.1 mt -109.59 58.33 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 10.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -84.97 92.38 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 129' ' ' GLU . 79.3 t -32.1 140.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 10.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.08 -32.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 10.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -112.37 -62.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 10.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 149.6 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 10.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' SER . . . 72.61 62.79 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -82.57 59.34 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 10.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -134.14 126.48 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 0.1 OUTLIER -168.48 56.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.544 ' CG1' ' N ' ' A' ' 139' ' ' ILE . 2.3 t -167.79 166.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -134.28 76.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 10.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 19.05 3.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -170.66 83.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 10.0 109.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.77 123.09 18.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 10.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -178.77 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.6 p -94.97 64.35 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 152' ' ' LYS . 9.9 m -87.45 117.08 26.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 10.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.441 HD13 ' CG1' ' A' ' 60' ' ' ILE . 0.4 OUTLIER -112.9 48.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 10.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -128.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 150' ' ' GLY . 0.2 OUTLIER -116.07 84.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 10.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 149' ' ' LYS . . . 37.92 92.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 10.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 -49.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 10.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 146' ' ' SER . 40.2 mmtt -88.29 -27.55 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 10.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.4 pp -81.79 54.22 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.78 10.48 15.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 10.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.01 -31.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.55 58.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 158' ' ' GLU . 3.6 t0 -133.9 -87.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 157' ' ' ASP . 0.8 OUTLIER -55.16 -29.17 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.46 47.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 10.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -112.83 -155.3 12.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.134 . . . . 10.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.6 t 158.19 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 10.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . -83.4 174.9 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.36 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.6 pt -122.44 139.8 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 2.6 mp -117.53 94.28 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.566 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 1.1 p80 -144.36 177.7 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' CG ' ' A' ' 168' ' ' GLN . 0.2 OUTLIER 76.54 -0.16 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -153.07 173.05 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.407 ' C ' ' HB2' ' A' ' 180' ' ' SER . . . 68.66 87.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -93.89 174.2 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 10.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -167.23 178.43 5.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -71.32 60.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.431 ' C ' ' CG2' ' A' ' 174' ' ' THR . 0.4 OUTLIER -129.66 -46.65 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 10.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.431 ' CG2' ' C ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER 40.52 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 110.412 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 171.85 163.41 0.25 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 10.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.03 53.91 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 10.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 158.47 45.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -124.68 -57.03 0.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 10.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.1 t-20 170.05 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.4 t 81.44 42.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . -158.16 102.43 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.45 ' C ' ' ND1' ' A' ' 166' ' ' HIS . . . 52.83 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 10.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.566 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.4 mtm-85 -50.76 126.92 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 10.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.46 HD11 ' N ' ' A' ' 185' ' ' VAL . 2.5 pp -127.73 -42.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 165' ' ' ILE . 4.3 p -119.82 134.17 64.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 10.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.61 143.56 19.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -90.64 -118.69 2.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 10.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 172.11 83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.513 ' O ' ' CD1' ' A' ' 189' ' ' LEU . 0.2 OUTLIER -135.71 105.86 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.61 16.52 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 94.19 -112.9 4.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 10.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -106.54 154.15 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -138.86 155.16 48.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 10.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 10.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -146.02 -64.75 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 10.0 110.295 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.7 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.81 97.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -151.86 170.28 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 10.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.2 t -86.45 169.59 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 10.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -58.07 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 10.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 177.57 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.5 t80 -166.53 172.16 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 83.62 146.2 6.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 10.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.416 ' N ' ' H ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -61.01 178.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 10.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 5.5 p80 -176.65 152.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 10.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.495 ' CG2' ' HA2' ' A' ' 187' ' ' GLY . 12.5 p -99.01 118.82 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -67.23 99.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 45' ' ' VAL . 14.4 mt -84.76 88.48 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 10.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 9.4 p -114.71 139.99 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.666 HD21 ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -110.74 164.37 12.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -54.88 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.4 mm-40 -108.01 -47.71 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -28.98 -47.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 10.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 87.05 -29.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 10.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' C ' HG12 ' A' ' 55' ' ' VAL . . . -176.35 162.55 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 10.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ASN . 31.5 m -151.49 20.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.33 -151.01 17.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 10.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -178.82 175.21 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 10.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 7.1 mm -116.94 96.81 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 2.5 mt-10 -138.19 121.64 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 10.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 147' ' ' LEU . 2.7 mt -109.18 142.33 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.98 85.24 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 10.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.82 124.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -147.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -156.13 63.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -135.8 -166.7 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.86 139.0 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 10.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.597 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -86.17 96.48 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 10.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.84 49.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.708 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 14.0 mm -87.21 53.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.708 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 m170 149.58 57.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.0 pp -118.35 57.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.42 176.72 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' C ' ' ND2' ' A' ' 75' ' ' ASN . . . -147.09 57.71 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.515 ' O ' ' O ' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -157.44 151.26 24.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' ASN . 0.2 OUTLIER 166.31 55.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 109.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 83' ' ' LEU . 2.8 mp -107.79 -96.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.5 mtt180 160.22 -50.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 10.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.0 Cg_endo -75.04 52.62 3.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 10.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.23 38.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 10.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -63.19 159.96 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.546 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 10.2 m -100.51 128.07 46.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 10.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -122.34 92.05 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.28 128.42 44.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 86' ' ' HIS . 2.1 t80 -125.63 170.61 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 173.21 174.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.581 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.5 mm -95.6 -39.23 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.451 ' N ' ' HB2' ' A' ' 162' ' ' ALA . 24.7 p90 -151.99 152.15 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -82.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.57 48.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.18 165.67 41.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 10.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HB1' ' A' ' 188' ' ' ALA . 3.1 t -84.82 125.17 32.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 127.51 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.36 -49.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 10.0 109.36 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -65.73 157.26 80.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 121.22 6.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 128.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' SER . 3.4 t80 -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 10.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.9 80.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 10.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' PHE . 80.7 p -177.08 151.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.47 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.75 -105.83 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.5 -173.77 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 10.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.37 164.96 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 10.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.22 162.49 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.21 24.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -42.6 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -92.59 74.68 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.6 pttp -110.64 -133.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER 171.0 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.553 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -44.89 109.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 10.0 109.636 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -140.24 101.91 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 58.07 -83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 10.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 113' ' ' GLY . 5.0 m-80 -175.76 83.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.41 168.04 10.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.0 19.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 10.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.3 ptm -106.64 -19.67 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.57 110.34 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 10.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.577 ' CE1' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER 170.13 161.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 10.0 109.618 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.577 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -119.27 -176.89 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.561 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -140.32 50.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -73.27 4.43 25.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.147 . . . . 10.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.01 123.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 10.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.41 130.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 125' ' ' LEU . 18.1 Cg_endo -75.02 170.95 19.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 10.0 110.983 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -92.96 59.85 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 4.7 mt -129.47 59.06 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 4.0 pt-20 -94.85 62.56 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' GLU . 1.5 t 38.56 -147.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 86.83 -66.57 3.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 10.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -65.33 -38.72 90.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 9.5 m-20 149.41 -14.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.515 ' O ' ' O ' ' A' ' 75' ' ' ASN . . . 87.25 19.55 54.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 10.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -114.93 83.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 10.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.427 ' HB ' ' CD2' ' A' ' 128' ' ' LEU . 0.9 OUTLIER -110.77 117.19 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.24 128.72 54.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 10.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 2.6 m -111.89 107.88 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.2 OUTLIER -141.48 35.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 141' ' ' ASN . 3.4 ptt? -100.88 126.79 47.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 140' ' ' MET . 1.8 t30 41.28 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 145' ' ' THR . . . -111.46 145.82 33.36 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 10.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.91 59.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.421 HG23 ' CB ' ' A' ' 142' ' ' ALA . 46.0 p -53.61 96.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.15 70.46 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 10.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 153' ' ' LEU . 16.4 mt -37.41 -49.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER 35.45 -156.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -114.18 -31.56 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.414 ' N ' HD23 ' A' ' 153' ' ' LEU . . . 163.75 78.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 150' ' ' GLY . 47.8 t 177.29 -62.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 10.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' LEU . 14.4 mmtt -67.81 -50.22 58.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -38.33 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 12.8 t30 66.16 10.6 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.24 -24.92 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 155' ' ' ILE . 2.7 mm? -86.57 -162.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 159' ' ' ASP . 19.7 t70 -85.39 74.78 10.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 64.06 -78.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 10.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 157' ' ' ASP . 2.7 p-10 -141.9 50.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 156' ' ' LEU . . . -170.62 -136.97 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 10.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.607 ' OG ' ' CZ ' ' A' ' 163' ' ' PHE . 0.1 OUTLIER -162.0 -171.13 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 10.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -148.83 109.18 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CZ ' ' OG ' ' A' ' 161' ' ' SER . 21.5 m-85 -148.21 81.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.4 HD12 ' CE1' ' A' ' 166' ' ' HIS . 2.2 pt -92.22 125.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -118.53 71.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 10.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 4.0 p-80 -136.7 176.9 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 80.05 -11.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 10.0 110.334 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 37.0 mm-40 -142.37 176.07 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . 58.92 -173.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 5.3 t0 80.36 146.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -173.43 59.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.442 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -82.89 -59.89 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.54 -39.7 6.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 10.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 2.4 t 38.84 57.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 10.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -64.25 -51.31 62.54 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.01 -68.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 6.2 t -171.56 41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 10.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 128.76 124.04 2.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 10.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 180' ' ' SER . 16.5 t-20 -42.83 -47.87 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER 83.94 -10.99 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 10.0 109.969 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 64.52 -74.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 183' ' ' ARG . . . 58.21 113.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 182' ' ' ALA . 10.6 ttm180 33.24 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -135.57 -57.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 9.5 p -104.05 154.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 144.3 21.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 108.34 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.495 ' HA2' ' CG2' ' A' ' 45' ' ' VAL . . . -101.96 -115.73 4.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 10.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . 75.53 175.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 10.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 190' ' ' LEU . 5.7 mt 65.54 67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 1.5 pp -38.33 133.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.434 ' O ' ' ND2' ' A' ' 192' ' ' ASN . . . -57.33 -160.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 191' ' ' GLY . 8.6 m-80 76.65 155.9 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -173.46 117.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 10.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.67 169.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 10.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 149.44 49.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 10.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 10.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -171.71 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -170.04 164.33 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 p -136.41 -179.91 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 10.0 110.374 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 m -68.18 -74.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.96 115.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -47.75 -72.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 10.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.81 102.28 1.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.119 . . . . 10.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -97.1 100.1 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 10.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 45' ' ' VAL . 79.1 m80 -144.72 57.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 10.0 109.532 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 187' ' ' GLY . 3.6 t -142.25 76.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.58 106.41 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 10.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HA ' ' CG2' ' A' ' 185' ' ' VAL . 0.5 OUTLIER -101.21 87.12 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 185' ' ' VAL . 5.7 t -125.39 100.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 10.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.441 ' HB3' ' CG1' ' A' ' 185' ' ' VAL . 18.5 p30 -84.93 170.65 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -91.37 37.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' OE2' ' CB ' ' A' ' 169' ' ' ALA . 91.8 mt-10 -114.32 -77.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.26 -73.97 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 10.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.06 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 10.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.56 146.17 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.409 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 11.4 m -84.92 -21.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.41 -129.14 2.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -172.34 160.84 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 10.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' CG2' ' A' ' 72' ' ' ILE . 21.2 mm -122.85 122.93 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.5 mt-10 -129.66 125.29 35.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.501 ' HB ' ' CD1' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -111.37 145.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -176.07 56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.2 pt-20 -32.45 121.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 10.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -55.19 -56.02 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 10.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.72 -49.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.3 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -97.28 174.83 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' N ' ' HG1' ' A' ' 145' ' ' THR . . . -57.47 84.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 10.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 1.7 mm? -114.86 -14.7 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 10.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.479 ' N ' HG21 ' A' ' 139' ' ' ILE . 6.1 t70 -156.91 24.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.546 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -85.02 146.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CD2' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -127.76 68.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.49 ' CG2' HG21 ' A' ' 58' ' ' ILE . 1.2 pp -105.76 68.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 10.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.43 ' HB2' ' N ' ' A' ' 136' ' ' VAL . 27.8 p -147.85 151.96 36.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -115.38 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -12.32 30.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.513 ' HA ' ' CD2' ' A' ' 83' ' ' LEU . 30.4 t 59.36 57.78 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 1.1 mt 46.01 -92.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 157.76 -51.21 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 10.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 88.98 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.73 68.26 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 10.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 129' ' ' GLU . . . -67.88 159.53 30.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 10.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 50.6 m -132.28 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 10.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.647 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.43 137.54 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.81 -44.44 7.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER 60.69 173.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 10.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.32 106.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -150.58 152.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 87' ' ' ILE . 15.0 m-85 -160.55 58.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 10.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER 167.11 47.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' CB ' HD11 ' A' ' 164' ' ' ILE . 12.1 mmmt -139.83 148.99 42.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' CA ' ' HG ' ' A' ' 189' ' ' LEU . . . 175.5 -38.7 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 10.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -85.92 99.61 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 10.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.59 156.73 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 10.0 108.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 4.1 p 41.43 43.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -145.09 146.14 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.76 135.69 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -141.17 77.18 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.64 -75.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 10.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.7 t -165.7 94.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.3 -45.33 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.06 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 10.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.91 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 10.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.27 144.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 10.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 177.73 148.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 10.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.93 -55.79 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 10.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -116.42 82.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 65.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.04 -176.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.8 OUTLIER 67.97 85.0 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.609 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . -116.3 64.72 0.33 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 10.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 0.2 OUTLIER 70.35 -60.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 10.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.75 99.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.376 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLY . 1.2 t-20 -136.14 165.76 33.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.79 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 10.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.33 -4.34 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' ASN . . . -174.04 140.27 5.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -135.41 -47.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 10.0 109.605 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -119.89 158.2 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 10.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.32 7.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 10.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 174.52 -34.82 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 10.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.84 153.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mt -124.38 155.05 69.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.41 20.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 10.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.46 66.1 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -136.31 62.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.492 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -153.35 64.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 10.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.585 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.9 OUTLIER -153.64 -156.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 10.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.585 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -48.75 -85.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 10.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.24 38.18 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 10.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.474 ' HB2' HG23 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -72.33 -17.84 61.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -85.43 -1.55 87.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 10.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 58.03 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 10.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.4 t -108.98 91.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 71' ' ' HIS . 3.3 m-20 -109.77 116.79 32.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 10.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -91.66 93.22 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -123.25 8.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.55 107.4 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 69.85 55.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.6 173.11 7.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -75.08 -42.44 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 1.4 m-20 154.74 69.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 10.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.434 ' HG1' ' N ' ' A' ' 67' ' ' GLY . 17.9 p -76.94 54.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 152' ' ' LYS . 4.5 m -76.85 112.83 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.501 ' CD1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -118.9 20.45 12.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 50.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 10.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 151' ' ' SER . 19.2 mmtt -152.67 -95.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -67.95 64.66 0.34 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 10.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 149' ' ' LYS . 5.0 t 77.12 59.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 10.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 146' ' ' SER . 4.9 ttmt 51.54 -96.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.85 89.83 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -107.63 30.34 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -7.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.465 ' CB ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.09 -163.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.55 176.53 8.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 10.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -25.5 26.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 10.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.54 -52.24 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 166.07 -141.67 7.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.152 . . . . 10.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.1 p 158.6 144.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 10.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -158.41 175.45 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 10.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 61.6 m-85 -83.18 95.63 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 10.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.695 ' CG2' ' CE1' ' A' ' 166' ' ' HIS . 1.8 mp -84.32 144.62 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 185' ' ' VAL . 1.3 mp -116.25 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.695 ' CE1' ' CG2' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -147.4 173.79 12.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 10.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 79.4 -25.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 10.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 5.6 mt-30 -131.5 161.57 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 180' ' ' SER . . . -141.31 -90.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.78 37.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.27 -76.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -165.43 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 174' ' ' THR . 3.4 tp -98.87 -51.53 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' LEU . 0.3 OUTLIER 42.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.567 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.5 OUTLIER 176.09 -55.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.1 Cg_endo -75.04 -84.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 10.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -43.92 66.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 52.65 103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 10.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -94.06 32.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 10.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 169' ' ' ALA . 15.5 p -95.67 49.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -119.84 95.59 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 10.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 181' ' ' GLY . . . -36.28 154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.6 OUTLIER 79.92 58.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.355 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -130.45 -44.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -135.61 144.76 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 10.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.47 137.13 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 108.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.5 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . -114.95 13.97 19.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 162' ' ' ALA . . . -49.21 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 10.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.415 ' HG ' ' CA ' ' A' ' 91' ' ' GLY . 11.7 mt 57.51 60.93 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 10.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 161' ' ' SER . 29.2 mt -39.77 -32.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 189' ' ' LEU . . . -140.25 -148.56 5.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 10.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 9.3 t30 175.59 -58.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -51.59 167.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 10.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 -68.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 10.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.44 89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 10.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.9 120.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' O ' ' CG2' ' A' ' 38' ' ' THR . 0.3 OUTLIER -173.84 144.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 t 50.82 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER 177.69 85.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 110.013 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 39' ' ' SER . . . 78.63 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.0 p90 -68.62 59.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -36.87 -68.74 0.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -43.72 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 10.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -170.8 160.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 10.0 109.588 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG1' ' HA2' ' A' ' 187' ' ' GLY . 42.9 t -140.17 138.67 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 10.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.24 105.41 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 10.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.505 HD21 ' CG1' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -83.41 96.89 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' HG23 ' A' ' 185' ' ' VAL . 1.1 t -103.82 122.75 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.552 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.93 166.94 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -60.66 -51.3 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 10.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -118.83 -37.21 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -46.8 -35.11 7.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 10.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.8 tptt 91.94 -22.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 10.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . 179.45 141.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 10.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.552 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -106.34 21.91 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 116.71 -138.91 14.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.513 ' CE1' ' O ' ' A' ' 73' ' ' SER . 5.3 p90 -157.76 160.41 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 10.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.505 ' CG1' HD21 ' A' ' 47' ' ' LEU . 17.9 mm -105.88 137.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 41' ' ' PHE . 24.8 mt-10 -149.56 70.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' A' ' 70' ' ' ILE . 63.3 mt -87.66 106.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -105.89 84.66 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.6 mp0 -30.84 127.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 10.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 13.1 t -103.34 -148.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.29 77.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.95 -82.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 10.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -155.59 157.0 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 145' ' ' THR . . . 42.17 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 138' ' ' VAL . 4.4 pp -153.5 159.35 42.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 12.2 t0 -156.97 39.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.512 HG23 ' CG2' ' A' ' 60' ' ' ILE . 0.4 OUTLIER -84.52 172.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -114.94 66.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.9 121.88 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.501 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -80.3 176.42 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.03 -10.26 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.669 ' O ' ' N ' ' A' ' 78' ' ' ARG . 29.1 t 45.82 56.79 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 10.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 11.1 mt 39.61 -86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 162.11 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.99 58.82 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 10.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.47 57.75 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.555 1.159 . . . . 10.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -94.13 155.9 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 63.3 m -83.07 92.33 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 10.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.502 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 2.5 mm? -98.56 87.71 3.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 148.53 168.58 14.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 10.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' HIS . 1.4 t80 177.17 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 10.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' PHE . 12.5 t-80 58.13 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 10.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 163' ' ' PHE . 0.4 OUTLIER -61.76 -158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 161' ' ' SER . 2.9 p90 -86.19 175.12 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.11 -55.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 10.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 99.4 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.24 163.8 6.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 10.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -96.24 -154.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 m -96.86 85.6 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.09 30.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 10.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.54 146.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 10.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -173.76 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.03 108.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.3 175.44 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 10.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.93 -63.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.31 -75.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.96 -109.55 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 10.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.71 83.97 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 10.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.46 100.13 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 179.55 152.55 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.96 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.06 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -149.29 102.63 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -11.65 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 10.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.19 -74.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 10.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 60.63 52.93 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.56 -112.08 4.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 10.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 3.3 t80 56.4 34.19 23.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 10.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 38.8 t30 83.31 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 10.0 109.262 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.78 171.07 4.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.48 9.2 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -36.62 14.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 53.17 91.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 10.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 62.88 148.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 10.0 109.558 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.82 -162.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -158.38 51.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -67.95 -2.4 23.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 10.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.49 159.49 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.53 143.76 18.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 10.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.82 59.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 16.4 mt -146.47 65.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.3 pt-20 -84.0 56.55 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 1.5 t 31.65 -144.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.96 -36.18 3.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 10.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -125.2 3.58 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 76.9 65.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 10.0 109.364 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.512 ' N ' ' CB ' ' A' ' 76' ' ' SER . . . 40.69 26.95 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' ASP . 12.4 mtpt -88.83 62.97 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 10.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -112.38 161.61 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 0.8 OUTLIER -139.53 89.96 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 10.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 9.8 m -80.08 117.09 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 32.0 mm -114.0 -116.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.92 101.93 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 10.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.93 40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 10.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.495 ' CB ' HD22 ' A' ' 68' ' ' LEU . . . -115.79 166.8 11.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 10.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -158.35 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.5 p -117.99 48.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 10.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 145' ' ' THR . 3.2 pp -95.2 39.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -139.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 153.95 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 10.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 92.62 -45.96 2.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 153' ' ' LEU . 0.1 OUTLIER -106.92 -8.06 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 10.0 110.033 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.458 ' O ' ' CA ' ' A' ' 147' ' ' LEU . 19.8 mttm 63.07 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 10.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -113.08 -18.9 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 10.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 2.4 t30 68.17 2.53 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.43 ' O ' ' OG ' ' A' ' 161' ' ' SER . 5.6 pt -136.38 45.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 105.0 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' GLU . 4.7 t70 -83.63 175.38 9.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' ASP . 4.2 mt-10 -37.38 -58.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 189' ' ' LEU . 9.2 m-20 -85.74 -54.75 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 174.79 -122.66 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 10.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.553 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 2.3 p 157.36 131.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 10.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.482 ' N ' ' HA ' ' A' ' 188' ' ' ALA . . . -156.68 -179.73 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.562 ' CD1' HD13 ' A' ' 87' ' ' ILE . 32.7 m-85 -82.31 118.23 22.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.22 136.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.518 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 1.4 mp -121.4 118.95 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 13.7 p-80 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 10.0 109.579 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.41 25.06 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.432 ' HG3' ' CB ' ' A' ' 180' ' ' SER . 0.8 OUTLIER -81.42 176.96 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 10.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -133.46 -177.08 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.06 127.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.412 ' N ' ' HB ' ' A' ' 174' ' ' THR . 5.7 m-20 -174.72 -175.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -55.45 -56.2 22.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 10.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.82 -46.61 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.412 ' HB ' ' N ' ' A' ' 171' ' ' ASP . 8.2 t 39.39 41.55 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 10.0 110.441 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.515 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.9 OUTLIER -69.24 -51.8 16.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 10.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.02 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 10.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.8 44.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 10.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 75.27 36.33 45.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 10.0 111.042 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 7.7 m120 41.16 70.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 168' ' ' GLN . 0.1 OUTLIER -175.16 73.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.66 25.73 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 10.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -178.3 175.58 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 10.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.509 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 4.0 mtp180 -57.66 124.26 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -119.41 -72.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.518 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 6.4 p -99.97 139.73 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 28.0 p -158.41 153.17 24.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 10.0 108.317 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 188' ' ' ALA . . . -108.12 -74.98 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 10.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.581 ' C ' ' O ' ' A' ' 187' ' ' GLY . . . 25.5 53.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 188' ' ' ALA . 77.7 mt -158.66 59.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 161' ' ' SER . 28.8 mt -81.17 -145.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -68.6 -175.93 11.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 10.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.17 -60.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 10.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -51.59 111.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 195' ' ' LYS . 0.1 OUTLIER -161.12 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 10.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 194' ' ' GLU . 9.7 tttt 81.41 130.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 10.0 110.293 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.7 148.14 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 10.0 109.352 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.27 178.46 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -151.95 -176.56 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 10.0 110.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 16.2 m -98.15 -76.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 39' ' ' SER . . . 81.57 110.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 10.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.84 97.3 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.31 -169.79 14.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 18.2 t-160 -106.07 -84.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -167.42 85.11 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 10.0 109.566 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 187' ' ' GLY . 19.4 m -139.51 96.0 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.67 112.65 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -83.83 82.29 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 54.4 t -110.25 130.35 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 164.25 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 179' ' ' ASN . 60.4 mtt180 -84.33 46.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 10.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -124.16 -57.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.19 -77.85 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.508 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 6.0 m -85.42 -24.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 10.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 154.23 -109.5 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 10.0 111.035 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CD2' ' CG ' ' A' ' 59' ' ' GLU . 13.4 t80 -175.2 156.62 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 10.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 mm -90.04 97.13 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 57' ' ' PHE . 25.5 mt-10 -111.47 69.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG2' HG21 ' A' ' 72' ' ' ILE . 11.5 pt -82.95 150.47 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -134.28 112.97 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -28.48 140.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -80.34 -171.24 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.94 30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.77 -76.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -153.47 173.47 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 10.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.12 -142.86 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.76 105.56 14.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 10.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 9.5 t70 -95.28 41.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.5 pp -83.67 175.55 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -131.67 101.16 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 10.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.482 HG21 ' CG2' ' A' ' 60' ' ' ILE . 2.3 pp -135.14 134.09 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.79 63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -153.07 104.36 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 10.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 60.1 m-80 -156.78 -39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.527 ' CB ' HD12 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -151.08 109.75 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.994 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 52.6 mt -76.49 42.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.822 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 67.56 40.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 110.242 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.822 ' HD3' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -74.96 -32.04 5.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.51 43.08 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 10.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 130' ' ' VAL . . . -136.45 179.4 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -81.39 159.91 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD12 ' CB ' ' A' ' 76' ' ' SER . 2.3 mm? -131.72 106.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' N ' ' NE2' ' A' ' 168' ' ' GLN . . . -85.96 106.3 3.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -128.97 67.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 10.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.75 146.29 30.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.556 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.78 120.51 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 10.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 t80 -154.6 94.61 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 10.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 12.0 pt-20 38.5 53.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -133.23 170.5 15.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.19 140.78 2.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -154.22 -171.57 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' SER . 3.8 m 87.59 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.4 t -110.45 50.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 8.1 mmt180 -155.83 102.23 2.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 10.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -170.07 146.47 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 10.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -138.85 43.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -91.51 166.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 10.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 106.98 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.76 82.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.84 159.3 8.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 10.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.13 -145.89 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.36 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -154.12 92.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.445 HD22 ' CD2' ' A' ' 121' ' ' HIS . 3.7 m120 -142.92 134.9 13.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 4.21 4.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 10.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mp 43.81 78.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -117.49 -54.63 2.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 10.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.8 28.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.84 -159.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.5 t60 60.66 22.75 12.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.601 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.22 32.44 1.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 10.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 t80 46.67 87.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.18 -38.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.4 OUTLIER 168.28 -53.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.1 Cg_endo -75.01 108.58 2.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 10.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.571 ' HB2' ' CD2' ' A' ' 121' ' ' HIS . 0.1 OUTLIER 35.76 43.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 120' ' ' HIS . . . -34.69 128.59 0.6 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' A' ' 119' ' ' GLY . 1.7 t-80 83.22 -54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 10.0 109.639 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 118' ' ' MET . 0.2 OUTLIER 69.79 -65.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.64 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 120' ' ' HIS . . . 61.78 34.27 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 70.01 7.52 59.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 10.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 23.2 t0 80.82 126.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 10.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.16 156.63 50.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 68.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 126' ' ' PRO . 51.8 m-20 36.91 58.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.495 ' CD1' HG13 ' A' ' 136' ' ' VAL . 14.6 mt -120.91 60.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.578 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.4 pt-20 -84.73 52.1 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 10.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 129' ' ' GLU . 4.1 p 25.23 -142.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.562 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 76.63 -53.6 3.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -71.19 -69.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.0 OUTLIER 154.94 51.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 10.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 45.53 40.72 8.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 10.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 96.81 8.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.495 HG13 ' CD1' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -109.42 59.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.545 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 18.5 p-10 -56.2 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 14.1 m 50.42 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -136.81 136.77 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 10.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 141' ' ' ASN . 4.2 mmt -124.52 93.74 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 140' ' ' MET . 13.9 t-20 163.29 64.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -154.73 145.55 16.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.38 50.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 155' ' ' ILE . 6.1 p -85.19 70.84 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 118.69 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -99.33 54.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.422 ' CE ' ' HB2' ' A' ' 152' ' ' LYS . 0.5 OUTLIER -81.11 -115.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 10.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -92.91 173.58 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 10.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -70.97 93.82 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.65 -33.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 10.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.422 ' HB2' ' CE ' ' A' ' 148' ' ' LYS . 2.2 mmtt -97.02 -33.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.5 pp -79.99 49.09 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.33 18.15 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 145' ' ' THR . 0.0 OUTLIER -108.24 -21.4 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 155' ' ' ILE . 5.3 mt -83.98 -138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 160' ' ' GLY . 4.0 t70 -102.0 99.28 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 53.52 -95.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.473 ' O ' ' CA ' ' A' ' 191' ' ' GLY . 2.1 m-20 -119.68 -4.54 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -122.48 -161.9 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.56 -169.25 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 10.0 109.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 90' ' ' LYS . . . -155.5 107.98 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.599 ' CE1' ' CB ' ' A' ' 188' ' ' ALA . 19.0 p90 -157.25 60.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.84 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 185' ' ' VAL . 2.2 mp -107.08 77.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.414 ' O ' ' OE1' ' A' ' 168' ' ' GLN . 2.1 p80 -129.14 176.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 10.0 109.637 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 168' ' ' GLN . 4.2 mt-10 61.49 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 10.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.46 ' NE2' ' N ' ' A' ' 84' ' ' GLY . 1.7 mm100 -94.27 175.7 6.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.65 -172.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 180' ' ' SER . 9.3 p-10 -107.4 -173.5 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' ' ND2' ' A' ' 179' ' ' ASN . 6.8 p-10 -125.81 33.66 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 66.25 31.89 8.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 7.3 tp -138.64 79.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.471 ' CB ' ' HA2' ' A' ' 178' ' ' GLY . 7.0 t -103.67 51.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.4 OUTLIER -58.49 -51.91 78.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.95 -81.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 10.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 89.0 p -145.51 24.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.471 ' HA2' ' CB ' ' A' ' 174' ' ' THR . . . 88.62 125.23 2.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 10.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 173' ' ' LEU . 1.2 m-20 -83.31 53.83 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 170' ' ' ASP . 89.4 p -154.17 73.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 10.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 158.99 133.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 71.93 175.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 10.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 137.74 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -134.6 -45.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 8.1 p -116.39 152.89 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.4 147.73 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 108.278 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 172.47 49.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 10.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.599 ' CB ' ' CE1' ' A' ' 163' ' ' PHE . . . -127.11 66.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.33 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 10.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 159' ' ' ASP . 12.7 mt -80.12 64.55 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 159' ' ' ASP . . . -156.71 161.54 31.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 10.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -155.04 137.26 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 10.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -47.94 136.6 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -171.55 -63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 24.5 tttt 66.14 119.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 10.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 3.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' VAL . 25.9 m -157.77 177.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.42 178.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 10.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 64.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.88 -68.34 0.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 46.82 89.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.33 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 195' ' ' LYS . 0.2 OUTLIER -37.93 -52.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.07 -142.17 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 10.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 169.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 10.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -173.07 144.4 1.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG1' ' HA2' ' A' ' 187' ' ' GLY . 10.5 t -110.31 62.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 6.1 pt20 -37.84 139.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 10.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CD2' ' HA3' ' A' ' 187' ' ' GLY . 6.5 mt -91.34 93.61 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.545 ' HA ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 m -94.9 91.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.489 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -106.07 148.18 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.615 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 58.44 128.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' CB ' ' NE ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 34.38 31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 34.44 37.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 10.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' HB2' ' NH2' ' A' ' 50' ' ' ARG . 14.0 tptm -78.2 -41.16 35.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 10.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 48' ' ' VAL . . . 60.38 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 10.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 77' ' ' LEU . 5.2 m -114.15 5.24 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.562 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -144.04 -153.02 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 161.32 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 190' ' ' LEU . 0.8 OUTLIER -106.59 99.61 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' OE2' ' CG ' ' A' ' 57' ' ' PHE . 2.6 mt-10 -151.17 88.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 10.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -109.16 153.74 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' CD ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -175.48 58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.7 mt-10 -137.49 -107.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.87 161.86 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 110.018 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 147' ' ' LEU . 4.7 p30 -155.41 58.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.52 -75.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 10.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.94 129.83 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 10.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 142' ' ' ALA . . . 38.09 82.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 10.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.526 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -84.78 -164.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -149.69 55.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.63 176.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -108.37 88.41 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 10.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 70' ' ' ILE . 1.9 pp -138.51 102.56 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 107.0 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . . . -142.02 81.06 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 10.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HB2' ' CA ' ' A' ' 134' ' ' GLY . 72.5 m-20 -158.79 -42.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.475 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.3 OUTLIER -74.47 59.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 10.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -45.54 -92.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 10.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.84 -57.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.03 54.02 3.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.96 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 10.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -72.96 156.21 39.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 10.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.3 m -90.74 132.12 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 10.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -101.24 125.12 47.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' LEU . . . -52.79 -167.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 10.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 88' ' ' TYR . 5.4 p90 -81.78 171.19 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 10.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' ILE . 37.2 m80 -137.79 159.09 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 10.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' HIS . 1.9 mp 38.96 54.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 10.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -105.03 114.89 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 10.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 44.86 -93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -118.74 -168.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.01 -160.72 28.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.25 167.19 31.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 10.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.93 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 10.0 108.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.9 t 65.08 50.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 10.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -164.47 111.96 0.89 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -78.44 -178.23 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' ASP . 8.9 m-85 37.65 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.16 -61.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 p -160.95 164.67 30.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.49 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 10.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.22 -127.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 10.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.6 -170.58 13.59 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -79.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 10.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 69.22 154.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.02 134.32 1.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.04 155.12 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 10.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.87 84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 10.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -41.33 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt 61.03 114.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 109.346 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 115' ' ' ASN . 0.5 OUTLIER -51.71 149.51 4.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 10.0 110.325 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -117.56 0.67 12.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 10.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.52 -72.95 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 10.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.2 t80 -38.59 -50.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 23.0 t-20 83.02 38.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.2 m-20 -77.44 173.06 8.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 10.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.0 -28.53 9.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 10.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.46 13.78 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.8 136.11 0.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 10.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' CG ' ' HB2' ' A' ' 114' ' ' PHE . 16.0 t-160 -52.25 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 10.0 109.564 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.39 118.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 109.62 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.26 -43.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 158.86 -40.44 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 10.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 109.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.81 153.24 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 18.2 Cg_endo -74.98 166.37 29.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 10.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -100.31 175.76 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mp 76.47 119.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 10.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.34 60.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 1.4 t 48.18 -149.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 58.88 29.74 65.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 10.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 88.3 -13.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 10.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.84 -2.27 14.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -120.42 0.35 12.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.99 66.49 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 99.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 138' ' ' VAL . 11.3 p-10 -140.85 154.58 46.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 137' ' ' ASP . 13.8 m 46.48 102.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.73 154.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtm -136.82 21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m120 164.32 68.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.509 ' CB ' ' CD ' ' A' ' 143' ' ' PRO . . . -84.68 -178.64 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.96 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 10.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 t70 176.56 61.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.1 p -76.25 69.29 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 10.0 110.408 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -83.61 83.89 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 153' ' ' LEU . 11.7 mt -64.04 -11.99 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.01 82.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -169.23 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -44.11 -51.82 7.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.114 . . . . 10.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.26 -63.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 10.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER 179.81 172.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 10.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 147' ' ' LEU . 2.9 pp -67.23 68.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 152' ' ' LYS . 44.1 t30 -85.0 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -109.59 -21.12 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 10.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 157' ' ' ASP . 3.0 pp -116.04 -158.6 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 156' ' ' LEU . 24.2 t70 -83.71 151.98 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -47.62 -23.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -84.77 -67.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -170.49 -165.73 28.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 10.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 17.9 p -53.9 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 10.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -141.93 106.47 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 17.3 m-85 -146.18 78.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.5 mm -97.18 129.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 10.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.07 124.17 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -155.58 178.46 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.562 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 82.33 -16.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 28.3 mt-30 -156.23 176.98 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 50' ' ' ARG . . . 73.27 113.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 10.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.476 ' N ' ' HA ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -78.48 154.47 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 10.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 172' ' ' TYR . 3.1 m-20 -132.29 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.519 ' C ' ' O ' ' A' ' 171' ' ' ASP . 18.1 t80 -27.24 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 10.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.486 ' O ' ' HB ' ' A' ' 174' ' ' THR . 6.8 tp -153.57 -86.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 173' ' ' LEU . 0.6 OUTLIER 176.44 173.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 110.41 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.49 150.81 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.88 20.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.8 m -108.15 6.9 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 10.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -101.37 -32.95 5.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 10.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.3 p-10 -141.08 108.66 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 10.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 t 90.23 52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 152.27 132.53 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 67.55 174.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.454 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 7.2 ttm180 -52.15 129.9 28.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 185' ' ' VAL . 1.6 pp -137.33 -53.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 184' ' ' ILE . 6.2 p -109.16 130.68 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.45 172.26 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 10.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.494 ' HA2' ' CG1' ' A' ' 45' ' ' VAL . . . 152.69 133.99 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 10.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.412 ' HB3' ' CA ' ' A' ' 162' ' ' ALA . . . 179.34 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 45' ' ' VAL . 24.5 mt -134.3 69.62 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 49.8 mt -38.94 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 10.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -40.78 150.48 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 10.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.86 -66.41 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 10.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -172.91 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -162.57 158.12 23.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 10.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -78.44 159.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.29 -0.634 . . . . 10.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -113.67 152.8 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.57 97.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 10.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 p -143.01 164.78 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -119.99 -178.88 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.47 -98.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 10.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -151.74 -175.32 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.04 135.17 8.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 2.1 m80 -87.5 -32.88 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 10.0 109.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 63.04 148.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 10.0 109.624 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -102.62 176.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -98.87 99.88 11.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 10.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CD2' ' CG1' ' A' ' 45' ' ' VAL . 1.2 mt -98.33 86.68 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 7.0 t -115.21 120.64 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.657 HD21 ' N ' ' A' ' 49' ' ' ASN . 1.1 m-80 -105.06 168.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.08 31.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' GLY . 3.0 pp20? -95.73 -43.14 8.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 51' ' ' GLU . . . -146.98 -57.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -178.25 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 10.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -142.9 166.28 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 74' ' ' ALA . 14.6 m -133.79 -1.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' HA3' ' N ' ' A' ' 75' ' ' ASN . . . 136.63 -153.05 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 51.1 m-85 -157.11 175.45 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 10.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 20.9 mm -111.89 90.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -112.82 99.76 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 10.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 HG23 ' CG2' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -99.43 152.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -133.84 108.9 8.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -35.15 140.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 10.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 69' ' ' ASP . 9.5 t -103.12 -155.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.48 39.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -85.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -104.05 -157.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 10.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -40.31 -71.61 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 10.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -156.29 148.57 23.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 10.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' OG ' ' A' ' 63' ' ' SER . 20.3 p-10 -139.32 48.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.589 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.2 pp -82.22 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -126.11 80.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 10.0 109.578 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 85' ' ' PHE . 2.3 pp -109.91 95.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.485 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 8.0 p -125.8 90.42 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 10.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -63.27 90.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 133' ' ' ASP . 0.1 OUTLIER -132.5 134.95 45.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 10.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HB2' ' N ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 168.98 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -142.76 -95.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 10.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER 158.65 -56.14 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 10.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 9.44 2.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 10.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 130' ' ' VAL . . . 67.49 -65.3 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . 59.13 175.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.4 m -83.88 105.45 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -106.72 91.49 3.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 10.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.85 156.25 4.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 10.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.51 ' CE1' HD11 ' A' ' 72' ' ' ILE . 1.4 t80 178.16 104.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.56 146.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 10.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -59.95 92.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.32 152.2 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.35 129.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 10.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -92.76 97.38 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 126.6 170.91 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p -97.3 142.91 28.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 10.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -47.17 -48.71 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -64.54 164.79 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 61.17 82.83 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.769 . . . . 10.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p30 176.87 95.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 10.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.32 100.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 10.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.05 126.15 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 10.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.4 p -135.85 161.82 34.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.93 -58.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.25 128.99 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.32 -81.84 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.29 10.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -129.85 110.24 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 109' ' ' ASN . 17.3 t-20 -175.9 103.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -38.97 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 10.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.56 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 58.2 t30 45.42 51.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.17 -34.15 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 1.6 mm-40 -96.59 -77.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 14.0 p-80 47.78 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 126.54 -175.31 17.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 10.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.575 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 0.4 OUTLIER 79.23 -46.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 0.739 . . . . 10.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.579 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 14.8 t-20 87.99 82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 10.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.3 m-20 -149.18 175.51 2.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 10.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.5 Cg_endo -74.92 -15.23 21.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 10.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 mtt -121.56 28.28 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.75 94.01 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER 170.82 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 10.0 109.62 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 121' ' ' HIS . 1.5 m170 61.09 -158.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 10.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -114.58 -103.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 67.27 -41.92 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.567 1.167 . . . . 10.0 111.04 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 122' ' ' ALA . 7.3 t0 81.67 159.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 10.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 156.55 43.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 177.96 7.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 10.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 34.7 m-20 -95.18 59.12 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -122.49 58.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 130' ' ' VAL . 2.5 mm-40 -93.64 64.77 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.545 ' HA ' ' HA3' ' A' ' 80' ' ' GLY . 37.3 t 58.04 157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.28 -103.59 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 10.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.553 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -91.57 32.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 3.9 m-20 86.82 35.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 10.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 83' ' ' LEU . . . 81.08 53.77 3.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.499 ' HG3' ' CB ' ' A' ' 132' ' ' ALA . 53.6 mttt -90.96 93.43 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 10.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 128' ' ' LEU . 1.5 m -136.29 84.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 10.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.522 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 2.8 p-10 -134.7 175.94 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.522 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER 60.19 154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.588 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -128.45 -167.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 10.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.2 mtt -149.8 19.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.6 m-20 156.23 146.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -153.9 149.74 21.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.43 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 10.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.9 t0 176.32 64.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.409 ' OG1' ' CD1' ' A' ' 68' ' ' LEU . 25.3 p -105.65 51.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 10.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -60.81 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 70' ' ' ILE . 3.0 pp -96.82 51.21 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -94.48 175.01 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 10.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' LYS . 2.5 mmtt -38.86 141.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 149' ' ' LYS . . . -36.8 102.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.091 . . . . 10.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.83 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -99.88 -35.7 9.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.377 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 1.3 pp -76.28 56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 154' ' ' ASN . 13.5 t-20 -107.11 22.6 15.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -22.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.508 HD21 ' N ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -90.32 -136.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.508 ' N ' HD21 ' A' ' 156' ' ' LEU . 52.8 t0 -84.76 58.44 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 64.61 -75.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.2 m-20 -137.57 40.98 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.72 24.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 10.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -92.8 -173.4 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 10.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.95 110.48 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 26.2 m-85 -150.09 80.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 pt -84.18 122.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.429 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 1.6 mp -98.78 135.28 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -176.93 175.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.21 17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 10.0 110.247 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 0.6 OUTLIER -83.1 175.48 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 10.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -113.48 129.06 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 6.4 t70 -43.33 -72.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 170' ' ' ASP . 2.2 t0 160.17 85.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 10.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.3 t80 50.45 22.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 10.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 173' ' ' LEU . 2.2 tp -172.44 101.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.528 ' O ' ' O ' ' A' ' 175' ' ' ASN . 8.2 t -94.15 -57.7 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.528 ' O ' ' O ' ' A' ' 174' ' ' THR . 1.0 OUTLIER 51.06 168.71 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 10.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.45 3.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 10.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 178' ' ' GLY . 8.8 p -176.96 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 177' ' ' SER . . . -36.03 -94.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 10.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 168' ' ' GLN . 2.7 t30 -179.51 116.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 41.9 t -106.5 15.18 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 10.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 82.65 116.06 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 174.9 145.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 10.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 1.6 ptm180 -39.07 106.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 10.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 185' ' ' VAL . 1.9 pp -136.49 -49.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 13.9 p -112.58 152.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 153.94 30.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 10.0 108.355 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.468 ' CA ' HG13 ' A' ' 45' ' ' VAL . . . -109.49 -91.82 2.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 10.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 55.28 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 191' ' ' GLY . 4.3 mt 53.62 81.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.39 74.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 189' ' ' LEU . . . 110.8 133.65 6.43 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.491 1.119 . . . . 10.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -80.92 123.09 28.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.796 . . . . 10.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -171.35 -49.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.91 107.71 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 10.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -103.78 -2.17 26.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 10.0 110.286 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 p -163.64 163.68 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.09 144.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 10.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.3 p -148.17 177.51 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -137.96 169.82 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 10.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.7 -87.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.59 170.46 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 10.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.96 152.34 43.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 p80 173.15 -177.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 10.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 72.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.531 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 162' ' ' ALA . 96.2 t -126.31 76.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -93.56 118.43 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -90.19 73.74 7.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 48' ' ' VAL . 4.7 p -99.86 103.19 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 10.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' OD1' ' CG1' ' A' ' 185' ' ' VAL . 3.2 m-80 -94.99 171.54 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 10.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.93 12.3 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.36 -36.2 74.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.15 -45.88 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -141.87 -104.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 10.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . -151.44 170.82 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' HB ' ' CA ' ' A' ' 75' ' ' ASN . 4.4 m -83.37 -13.29 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.92 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 10.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 1.2 p90 177.66 160.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 10.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 47' ' ' LEU . 14.7 mm -115.02 92.32 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 10.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.39 81.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 10.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CG2' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -88.45 156.55 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -147.13 116.68 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 148' ' ' LYS . 1.2 pp20? -38.03 132.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 10.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 60.4 p -97.59 -165.55 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 10.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -166.76 61.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.15 -71.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 10.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 mp0 -123.78 -168.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 10.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.01 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 10.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' CD1' ' HB ' ' A' ' 139' ' ' ILE . 0.7 OUTLIER -127.71 149.85 50.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 10.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 1.5 m-20 -154.86 39.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 72' ' ' ILE . 2.6 pp -83.38 179.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' HA ' HG12 ' A' ' 138' ' ' VAL . 1.7 t-160 -113.42 108.87 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.572 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.604 ' CG2' ' CD1' ' A' ' 70' ' ' ILE . 2.3 pp -129.56 119.42 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HA ' HG21 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -155.3 100.45 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 10.0 109.998 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -171.29 113.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' CA ' ' HB ' ' A' ' 55' ' ' VAL . 27.5 m-20 -137.3 -173.11 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 130' ' ' VAL . 2.3 m -64.94 113.15 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 10.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' HA ' ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -94.71 37.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 173.57 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 10.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.03 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' HA2' ' CB ' ' A' ' 130' ' ' VAL . . . -65.82 55.73 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 10.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 169' ' ' ALA . . . -112.75 -179.65 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.2 m -79.39 121.58 25.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 10.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 84' ' ' GLY . 3.2 mm? -85.25 72.01 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -27.45 97.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER -117.75 95.93 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 10.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.13 141.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.46 112.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -110.24 121.53 45.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.39 176.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -116.31 148.79 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.1 87.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -120.8 -172.7 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.048 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 m 68.92 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 108.303 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' SER . 17.5 m -102.09 49.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.7 mmt-85 -149.78 87.15 5.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 10.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.91 169.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 10.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -175.77 77.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 19.67 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 10.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.81 177.34 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.69 80.82 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.44 -147.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 10.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.06 151.35 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -77.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 10.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 66.07 168.77 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -127.45 100.55 25.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.51 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 165.38 90.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -116.32 84.72 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 10.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.0 110.25 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 50.11 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 10.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 119' ' ' GLY . . . -120.77 -116.78 2.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.455 1.097 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -162.26 43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 10.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 116' ' ' ASN . 57.6 t-20 -171.09 -71.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.58 1.175 . . . . 10.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.544 ' HB3' ' HD3' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 155.12 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.03 -80.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 10.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.2 mtm -76.59 5.18 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.458 ' CA ' ' HA3' ' A' ' 113' ' ' GLY . . . -107.49 60.71 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 10.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -145.87 144.82 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 10.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -135.54 174.02 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 10.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.37 -56.64 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 10.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.88 -40.06 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 10.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -131.69 120.09 22.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 0.766 . . . . 10.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 pp -109.83 112.69 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.59 31.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 10.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -74.05 90.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 135' ' ' LYS . 0.3 OUTLIER -172.67 60.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 130' ' ' VAL . 1.2 pt-20 -93.18 54.41 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.529 ' CB ' ' HA2' ' A' ' 80' ' ' GLY . 1.9 t 36.11 -156.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.441 ' H ' ' CG1' ' A' ' 130' ' ' VAL . . . 79.73 -9.34 44.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 10.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 135' ' ' LYS . . . -132.24 6.95 4.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 10.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 6.2 p-10 39.53 61.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 10.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' A' ' 75' ' ' ASN . . . 105.15 69.87 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 10.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.431 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -139.59 175.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.329 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.555 ' O ' ' C ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 173.01 173.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.555 ' C ' ' O ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -27.13 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -84.88 -146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 141' ' ' ASN . 0.4 OUTLIER -149.92 -176.22 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.994 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' MET . 42.5 t-20 -40.6 118.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 145' ' ' THR . . . -108.24 141.42 23.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.555 1.818 . . . . 10.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 143' ' ' PRO . 6.4 t70 31.18 49.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 142' ' ' ALA . 0.8 OUTLIER -132.14 38.13 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 10.0 110.38 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.1 132.8 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 10.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.99 -26.11 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 117.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.21 -79.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -110.07 -41.98 1.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 10.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.47 74.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.727 . . . . 10.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.92 -151.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.491 ' CD2' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -82.58 -79.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.3 t-20 80.5 32.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -138.3 -43.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -100.84 -154.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.0 OUTLIER -83.38 118.51 23.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 10.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.576 ' C ' ' O ' ' A' ' 157' ' ' ASP . 27.9 mt-10 -22.67 -55.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 157' ' ' ASP . 97.5 m-20 -127.74 53.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 10.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 157' ' ' ASP . . . -169.55 130.51 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 10.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 0.0 OUTLIER 172.07 103.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 10.0 109.972 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 45' ' ' VAL . . . -158.17 176.12 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 85' ' ' PHE . 22.1 m-85 -93.17 109.56 21.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.407 ' O ' ' O ' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -87.49 117.22 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.38 124.22 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 0.3 OUTLIER -179.58 176.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.62 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 78.21 -7.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.415 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 4.8 mt-30 -143.76 176.18 9.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 10.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 81' ' ' ALA . . . 66.26 93.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.64 111.04 21.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.39 -61.36 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -178.83 -52.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.88 67.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.48 ' CB ' ' HA3' ' A' ' 178' ' ' GLY . 7.9 t -93.52 45.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 10.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.5 OUTLIER -76.0 -51.52 2.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.4 Cg_endo -75.01 -53.2 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.75 58.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 174' ' ' THR . . . -60.97 -105.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 10.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 34.7 t-20 -126.87 -43.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 10.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 31.1 t -91.54 32.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 182' ' ' ALA . . . -145.66 89.08 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 10.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 181' ' ' GLY . . . 78.15 169.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.542 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -71.06 134.89 47.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -131.36 -47.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.476 ' N ' HG12 ' A' ' 184' ' ' ILE . 4.3 p -102.76 129.03 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 147.3 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 10.0 108.274 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 189' ' ' LEU . . . -145.54 16.73 1.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.485 ' C ' ' CD2' ' A' ' 189' ' ' LEU . . . -69.53 61.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 10.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 188' ' ' ALA . 2.9 mm? -140.28 58.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 10.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 161' ' ' SER . 67.2 mt -76.52 93.83 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -81.31 161.88 43.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 10.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.62 169.0 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.12 -53.98 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 66.08 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 10.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -61.43 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 10.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.63 110.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 10.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.84 106.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -172.36 142.71 1.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.424 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' ALA . 67.2 m -74.02 -79.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 39' ' ' SER . . . 61.74 123.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -102.56 44.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 59' ' ' GLU . . . -59.79 128.9 47.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 60' ' ' ILE . 24.1 m170 -50.5 175.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 10.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 189' ' ' LEU . 15.7 t60 -96.57 60.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 10.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.05 105.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 131.3 55.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.04 99.0 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 54' ' ' ALA . 2.5 p -109.83 136.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' HA ' ' CG1' ' A' ' 185' ' ' VAL . 15.9 m-80 -89.98 128.48 36.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 10.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CB ' ' OD1' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -38.93 -34.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -107.37 -58.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.08 -47.85 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 10.9 tttm 91.92 8.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.536 ' CB ' ' HA ' ' A' ' 48' ' ' VAL . . . 84.97 133.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 15.3 m -145.04 18.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.567 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -142.92 -152.48 5.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 162.23 169.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 10.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 mm -107.85 107.05 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE2' ' CE1' ' A' ' 57' ' ' PHE . 6.5 mt-10 -121.47 79.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 10.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -83.94 165.78 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 10.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.665 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -148.58 62.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -9.82 109.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -95.2 -169.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 10.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -139.85 80.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.18 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 10.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -127.01 -172.29 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 10.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' C ' HD12 ' A' ' 68' ' ' LEU . . . -44.35 -45.15 8.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 10.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -141.02 145.88 36.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 0.7 OUTLIER -157.43 28.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.4 pp -84.57 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -130.84 96.61 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.621 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.6 pp -123.31 125.91 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.441 ' HB3' ' N ' ' A' ' 136' ' ' VAL . 0.3 OUTLIER -156.35 142.39 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 10.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -105.31 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 11.0 t30 -97.5 -147.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 5.9 mp -45.21 -87.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 78' ' ' ARG . 5.2 mmp_? -113.32 157.25 41.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 10.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.26 41.03 60.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 10.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -82.77 177.73 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 1.5 m -135.6 119.81 17.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 10.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD1' HG22 ' A' ' 165' ' ' ILE . 2.9 mm? -91.92 79.14 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.5 -169.28 42.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 10.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.21 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.61 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.628 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.2 mm -40.79 103.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -119.7 139.06 52.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 pt-20 -105.22 59.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.68 57.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.91 109.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -91.72 139.68 30.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 10.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t 65.86 88.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t 61.09 -178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 43.88 83.19 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 10.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 111.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 10.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.27 30.45 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.49 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m 177.14 102.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.57 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.6 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.13 -84.56 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 10.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 0.4 OUTLIER -101.81 150.82 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER 162.17 -51.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -74.98 54.94 3.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 10.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -159.01 -60.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -159.96 -45.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.27 164.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 26.07 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 10.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 72.8 -104.06 1.47 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 10.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 2.8 t80 71.15 -58.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 10.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -177.53 54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.36 169.64 6.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.02 15.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 10.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.33 -26.52 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 68.5 -174.6 31.21 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 10.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -171.59 1.94 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 10.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -56.69 175.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.03 44.85 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.61 7.23 20.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.54 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 108.79 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.31 41.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 10.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -84.82 66.2 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 10.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.431 ' HB3' ' CG1' ' A' ' 136' ' ' VAL . 21.2 mt -141.92 59.67 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.07 74.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 81' ' ' ALA . 2.0 t 49.66 -143.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.02 -59.29 3.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 10.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.07 -68.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ALA . 3.2 m-20 176.8 33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 48.93 28.6 7.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 10.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -82.74 84.24 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 10.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.441 ' N ' ' HB3' ' A' ' 73' ' ' SER . 8.6 m -93.39 167.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.4 p-10 -165.88 110.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 5.7 m -108.77 106.33 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -152.76 47.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 3.8 mtt -84.4 124.98 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 10.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 140' ' ' MET . 23.0 t-20 -36.32 98.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.488 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . . . -107.48 161.38 23.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.55 68.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.687 ' O ' ' CB ' ' A' ' 146' ' ' SER . 2.1 p -115.01 55.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.687 ' CB ' ' O ' ' A' ' 145' ' ' THR . 7.8 t 103.49 175.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 10.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.584 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER 25.61 73.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 10.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -145.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 151' ' ' SER . 10.3 mmtt -124.19 -106.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 10.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 151' ' ' SER . . . -66.84 60.67 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 10.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.513 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.4 OUTLIER 164.09 -48.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 10.0 110.007 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 151' ' ' SER . 4.0 pttt 32.1 -145.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 10.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.4 pp -76.27 56.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 151' ' ' SER . 6.8 p-10 -79.61 7.53 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.6 pt -85.69 23.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.621 ' CD2' ' O ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -80.96 103.7 10.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 10.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.53 -92.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.0 -68.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.17 20.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.12 -131.19 3.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 10.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.5 p 172.66 138.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 10.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -154.42 176.87 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -112.26 135.83 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -104.53 114.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.505 HG22 ' CD1' ' A' ' 83' ' ' LEU . 3.8 mp -90.58 118.69 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.537 ' HD1' ' N ' ' A' ' 183' ' ' ARG . 0.2 OUTLIER -174.77 178.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 109.575 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.7 OUTLIER 78.67 2.76 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 10.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.477 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 1.1 pt20 -84.08 176.89 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.411 ' O ' ' OG ' ' A' ' 180' ' ' SER . . . -76.24 -30.21 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 179' ' ' ASN . 17.3 m-20 57.24 -89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 173' ' ' LEU . 59.1 t0 -148.48 147.22 28.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' A' ' 171' ' ' ASP . 2.6 t80 -78.21 64.21 3.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.48 ' CD1' ' OD2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -153.62 53.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 13.9 t -80.08 -4.97 54.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 10.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.602 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -81.35 -57.8 0.53 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.94 53.1 3.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 10.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 14.1 m 43.1 68.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 179' ' ' ASN . . . -110.68 -131.15 5.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 10.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.3 m-20 -135.23 -142.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.743 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER 86.92 38.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 150.09 139.82 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 10.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 75.31 158.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 10.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.537 ' N ' ' HD1' ' A' ' 166' ' ' HIS . 3.6 ptm180 -38.65 136.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.523 HD12 ' CG1' ' A' ' 185' ' ' VAL . 1.3 pp -139.58 -61.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.523 ' CG1' HD12 ' A' ' 184' ' ' ILE . 4.3 m -126.25 104.54 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 10.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.43 137.12 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 108.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -98.64 -49.48 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 10.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 162' ' ' ALA . . . 60.19 154.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 10.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 44' ' ' HIS . 11.8 mt 58.64 92.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 191' ' ' GLY . 4.2 pp -59.61 -162.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 190' ' ' LEU . . . -111.32 96.67 0.9 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' CB ' HD12 ' A' ' 153' ' ' LEU . 1.3 t-20 175.95 175.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 10.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.02 90.01 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 10.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.32 159.55 15.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 10.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -94.03 143.69 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.346 -0.613 . . . . 10.0 109.346 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.91 158.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.27 171.74 10.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 10.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 t -161.03 173.57 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m 62.01 115.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -166.77 92.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 10.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.07 108.29 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.03 171.15 44.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.88 -66.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 10.0 109.634 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 73.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 1.4 p -116.67 110.19 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.16 98.68 8.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 10.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -83.66 87.33 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 5.2 t -115.0 140.74 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' OD1' ' CD1' ' A' ' 83' ' ' LEU . 2.8 m-80 -97.46 -12.78 22.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 2.3 ttt-85 82.09 21.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 10.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -115.91 -97.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 10.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.6 -67.96 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 10.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -174.28 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 10.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' O ' ' CD2' ' A' ' 77' ' ' LEU . . . 170.63 159.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.548 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 22.5 m -85.07 -35.23 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . 159.75 -118.99 0.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 10.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 26.2 t80 178.55 164.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 10.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.644 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 6.0 mm -94.02 77.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 92.26 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.484 ' CG1' HD12 ' A' ' 72' ' ' ILE . 7.3 mt -90.31 129.84 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 10.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -116.73 66.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 10.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -21.98 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -110.55 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.994 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.15 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -138.01 -85.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' GLY . 9.3 mt-10 -150.97 147.44 27.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 142' ' ' ALA . . . 34.19 -108.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 10.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -141.18 106.72 5.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 0.761 . . . . 10.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -106.39 41.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.526 ' CG1' HG12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -98.29 178.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 137' ' ' ASP . 0.3 OUTLIER -109.86 85.41 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 10.0 109.594 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.545 ' CD1' ' CG2' ' A' ' 58' ' ' ILE . 11.0 mm -87.42 76.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.5 p -116.04 157.53 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 161.9 70.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.509 ' N ' ' HB ' ' A' ' 55' ' ' VAL . 26.2 m-20 -161.4 -25.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.472 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.2 OUTLIER -70.35 63.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 10.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.9 mt -59.14 -66.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.584 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -179.83 -59.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.584 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.02 -159.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.15 37.17 3.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 10.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 170' ' ' ASP . . . -80.39 177.17 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.503 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -91.04 122.16 33.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 10.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 77' ' ' LEU . 1.3 mm? -121.64 70.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.63 127.4 42.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 10.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -165.83 156.24 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 0.1 OUTLIER 165.17 175.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.7 mm -115.11 106.25 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -149.56 169.07 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.72 111.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 10.0 110.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.511 ' NZ ' ' H ' ' A' ' 102' ' ' GLY . 5.0 tptp -150.72 -141.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.19 -171.56 31.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 10.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -93.11 130.93 38.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 10.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 89.0 m -49.77 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 108.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 m 41.25 55.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 45.97 95.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.07 -49.66 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 10.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 162.11 -60.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' ' NH2' ' A' ' 183' ' ' ARG . 22.7 t80 -176.07 -49.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 10.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.65 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.5 p -166.99 177.44 6.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.0 102.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.511 ' H ' ' NZ ' ' A' ' 90' ' ' LYS . . . -85.1 -99.98 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 10.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.15 -58.23 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.67 14.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.773 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.2 OUTLIER 47.95 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 10.0 110.963 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -40.44 145.52 0.5 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -170.44 -44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 10.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.8 pttt 175.53 116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 11.7 pt-20 -67.67 -47.56 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 10.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 37.3 p-80 45.35 77.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 10.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.5 -94.06 1.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 10.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.0 -49.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 0.79 . . . . 10.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.01 34.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.03 163.07 1.63 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 10.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -88.16 3.89 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.26 -147.52 19.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 29.6 p-80 -173.03 128.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.626 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 68.48 -67.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.572 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 120' ' ' HIS . . . 178.7 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 124' ' ' ASP . . . 173.4 -35.97 0.13 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 10.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.3 m-20 61.47 137.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.68 158.53 36.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 10.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 10.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -80.73 58.55 3.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.85 78.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 10.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 2.1 pt-20 -113.97 78.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.52 ' CB ' ' O ' ' A' ' 79' ' ' PRO . 1.8 t 40.01 -148.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 10.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.621 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 62.83 31.33 79.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.123 . . . . 10.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 93.88 -21.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.35 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 63.3 m-20 -50.49 -25.55 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.472 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -74.44 -28.36 63.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 10.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 132' ' ' ALA . 16.5 mmtt -82.18 58.08 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 1.3 t -114.83 164.02 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 10.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.493 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 2.9 p30 -141.99 138.25 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.518 ' CG2' HD11 ' A' ' 70' ' ' ILE . 26.5 m -77.63 99.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -144.78 123.15 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 7.3 mtt -155.0 22.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.3 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.75 157.89 63.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 -41.61 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 143' ' ' PRO . 5.8 m-20 168.89 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 146' ' ' SER . 26.7 p -117.39 60.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 153' ' ' LEU . 43.6 t 177.26 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -126.5 65.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 10.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 147' ' ' LEU . 1.4 tttm -47.27 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.454 ' HE3' ' CA ' ' A' ' 150' ' ' GLY . 0.0 OUTLIER -112.31 -43.39 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.454 ' CA ' ' HE3' ' A' ' 149' ' ' LYS . . . -66.79 -32.92 82.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 10.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.33 -159.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 10.0 109.995 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 153' ' ' LEU . 11.2 mttt -78.24 -173.87 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.7 OUTLIER -39.86 -62.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 22.0 t-20 67.84 24.07 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -114.38 -11.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -127.02 -168.03 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 10.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -155.42 168.95 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 10.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' ASP . 3.7 mt-10 36.48 -116.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -84.57 57.86 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 42.01 -101.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 10.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.3 p 153.91 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 10.0 110.01 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.36 175.82 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 86' ' ' HIS . 3.2 m-85 -107.22 176.75 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 186' ' ' CYS . 3.2 mp -136.63 130.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.501 ' O ' ' CG1' ' A' ' 184' ' ' ILE . 0.9 OUTLIER -85.74 101.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 2.9 p-80 -154.32 176.08 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 18.0 mt-10 84.35 -28.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 7.9 mm-40 -133.3 167.13 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 10.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.429 ' HB1' ' ND2' ' A' ' 179' ' ' ASN . . . -177.51 -167.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER 162.56 98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD2' ' CD2' ' A' ' 173' ' ' LEU . 0.1 OUTLIER 178.55 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 10.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 178' ' ' GLY . 0.3 OUTLIER 51.4 84.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 10.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.401 ' CD2' ' OD2' ' A' ' 171' ' ' ASP . 3.5 pp -149.14 -47.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 10.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 1.9 t -107.04 177.13 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.93 161.14 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.75 20.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.792 . . . . 10.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -48.51 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 10.0 110.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 179' ' ' ASN . . . 116.3 64.4 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 10.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 180' ' ' SER . 7.3 t30 39.23 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 10.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 p 155.66 67.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 10.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 175.36 38.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 10.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 49.36 175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 10.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.536 ' NH2' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER 66.42 61.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -114.01 -89.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -150.03 148.43 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 0.5 OUTLIER -136.17 168.45 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 108.241 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.407 ' C ' HG21 ' A' ' 45' ' ' VAL . . . -102.42 -74.69 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.441 ' N ' HG21 ' A' ' 45' ' ' VAL . . . 69.98 148.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 10.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.5 mt 62.69 98.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 161' ' ' SER . 3.3 pp -87.85 -171.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.425 ' N ' HD12 ' A' ' 190' ' ' LEU . . . -51.38 157.37 2.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 10.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -165.79 109.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 10.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.97 161.75 30.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 10.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.98 142.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.3 t -41.33 -87.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.92 -63.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p 45.94 81.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.92 178.62 6.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.4 -96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -56.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 44' ' ' HIS . . . 147.99 -143.12 10.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 10.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLY . 2.5 m170 36.65 77.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 10.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 42' ' ' GLY . 1.8 p-80 -148.7 158.04 43.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 10.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 189' ' ' LEU . 74.1 t -109.33 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.22 117.03 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 58' ' ' ILE . 5.8 mt -84.44 98.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.586 ' O ' ' CG1' ' A' ' 185' ' ' VAL . 81.8 t -86.25 145.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -84.76 13.65 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HB2' ' CG2' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 66.69 -60.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 10.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mm-40 -80.36 -82.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -43.02 -69.63 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 10.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 10.5 ttmt 157.93 -43.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 10.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 162.53 147.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 12.4 m -115.48 -18.16 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -148.45 -140.59 3.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 10.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 170.01 173.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 47' ' ' LEU . 16.8 mm -93.89 141.22 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 58' ' ' ILE . 21.1 mt-10 -137.92 117.92 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.501 ' CG2' HG22 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -99.12 120.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -160.07 62.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 10.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -38.68 157.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 10.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.63 -158.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 10.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.23 59.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.52 -81.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 10.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -134.61 152.68 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.86 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 10.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 145' ' ' THR . 3.6 mp -82.97 88.67 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.405 ' CG ' HD22 ' A' ' 147' ' ' LEU . 2.4 t70 -120.16 -170.22 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 10.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' CD1' HG12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -82.89 171.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' OD2' ' A' ' 137' ' ' ASP . 7.9 t-80 -109.92 65.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.53 HG12 ' CD1' ' A' ' 70' ' ' ILE . 6.4 pt -87.15 124.48 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -155.02 71.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -40.54 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.6 t30 -84.81 -163.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -110.91 96.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 110.061 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 6.9 mp -45.74 -79.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HG3' ' CE2' ' A' ' 172' ' ' TYR . 0.0 OUTLIER 160.25 -55.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 41.21 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 10.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 27.51 43.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -74.4 175.56 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 10.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.4 ' O ' HD13 ' A' ' 83' ' ' LEU . 33.1 m -102.2 127.64 49.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -115.83 61.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.365 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 98.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.416 1.072 . . . . 10.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.657 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 1.1 p90 -146.67 112.72 5.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.686 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 1.5 t-160 160.03 98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.619 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 156' ' ' LEU . 0.7 OUTLIER 68.8 164.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 10.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -85.97 168.02 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 10.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.1 tt0 -133.27 -54.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -154.18 59.03 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.21 166.69 3.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 10.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.487 ' HB2' ' CB ' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -91.44 156.78 17.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 10.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 31.9 p -47.58 105.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -134.0 81.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 60.32 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.78 . . . . 10.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -141.73 140.93 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 10.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 52.95 91.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 10.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.03 114.82 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 10.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.1 p -98.95 167.14 10.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 10.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.07 57.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 10.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.79 144.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 10.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.72 146.13 31.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 80.78 2.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 10.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.62 111.95 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER 174.67 147.76 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 10.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 62.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.42 94.28 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.03 -54.12 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CA ' ' O ' ' A' ' 119' ' ' GLY . 4.2 mp0 -103.22 97.26 7.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.403 ' CB ' ' OD1' ' A' ' 106' ' ' ASN . 51.9 t60 -105.58 98.89 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 10.0 109.589 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.21 151.49 6.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 10.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.06 -65.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ASN . 2.5 t-20 -169.52 41.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.524 ' OD1' ' CE1' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -47.56 173.11 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 10.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.96 -21.88 15.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 10.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.435 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -106.07 -24.01 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 10.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' O ' ' CA ' ' A' ' 111' ' ' GLU . . . 97.94 -11.88 64.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 10.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 118' ' ' MET . 8.6 p80 -130.46 125.92 35.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 10.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.524 ' CE1' ' OD1' ' A' ' 116' ' ' ASN . 0.4 OUTLIER -74.44 -74.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -178.66 -48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.69 38.66 2.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.9 p30 -175.0 74.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -114.1 97.12 44.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.08 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 10.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -95.49 74.02 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.55 59.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 10.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -97.07 59.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 10.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 1.9 t 38.33 -142.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 10.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.62 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 10.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -83.49 -63.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 10.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 158.62 40.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 37.4 29.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 10.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -83.68 70.33 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 10.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -122.54 93.03 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 10.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.579 ' OD2' ' CD2' ' A' ' 71' ' ' HIS . 9.3 p30 -113.44 112.29 23.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' CD2' ' A' ' 86' ' ' HIS . 6.5 m -86.55 117.25 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.67 20.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 10.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 8.4 ptp -150.4 -169.68 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 45.02 29.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -121.75 152.9 59.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -175.09 75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' LEU . 2.3 p -91.92 64.67 4.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 p -91.57 112.92 25.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 10.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.496 HD13 ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -95.78 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.49 -98.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -158.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 10.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -80.49 78.36 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 10.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.53 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 10.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -43.36 13.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 156' ' ' LEU . 3.3 pp -77.69 55.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.29 8.51 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -103.09 -16.73 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -121.24 -163.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.502 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 4.7 t70 -103.2 126.25 50.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.5 OUTLIER -35.43 -56.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.91 48.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -173.03 106.41 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 10.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.486 ' HB3' ' CD1' ' A' ' 190' ' ' LEU . 0.4 OUTLIER -129.75 7.75 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 187' ' ' GLY . . . -143.06 174.55 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 10.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.686 ' CE2' ' O ' ' A' ' 86' ' ' HIS . 3.0 m-85 -97.77 178.41 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -91.82 132.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -104.03 69.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.67 ' CD2' ' O ' ' A' ' 185' ' ' VAL . 10.3 m170 -131.3 178.07 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 10.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER 78.46 -24.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 10.0 110.343 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.612 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 4.1 mt-30 -139.52 177.07 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 10.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 91.98 134.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -139.51 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -74.89 -68.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -179.23 -43.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 10.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 175' ' ' ASN . 0.3 OUTLIER -90.23 -37.07 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 6.6 t 42.34 27.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -74.02 -51.29 4.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.03 87.93 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.1 OUTLIER 80.0 -68.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 10.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 106.19 133.27 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 10.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.414 ' HB3' ' HA ' ' A' ' 170' ' ' ASP . 13.3 t30 -71.38 -143.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.41 ' H ' ' ND2' ' A' ' 179' ' ' ASN . 4.0 p 77.96 47.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.5 46.33 1.19 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 10.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 57.51 163.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 10.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.23 77.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 110.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 185' ' ' VAL . 3.3 mp -124.25 -105.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 10.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.67 ' O ' ' CD2' ' A' ' 166' ' ' HIS . 0.2 OUTLIER -110.76 146.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 134.16 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 162' ' ' ALA . . . -132.72 111.27 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 10.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 92' ' ' SER . . . -170.97 60.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 10.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 31.6 mt -148.39 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 161' ' ' SER . 0.0 OUTLIER -128.27 83.28 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -168.08 -79.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 128.65 35.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.3 m120 167.39 79.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 10.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -169.45 -60.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 10.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt 54.2 75.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.285 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.54 128.05 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 10.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -108.0 154.15 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.0 p -126.37 175.29 7.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 p -51.97 172.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 43' ' ' HIS . . . 175.54 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 10.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 61' ' ' LYS . 2.0 m-85 -68.9 77.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 52.81 106.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 10.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.477 ' NE2' ' CB ' ' A' ' 40' ' ' ALA . 20.0 p80 -175.52 168.6 3.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 10.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.17 68.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 10.0 109.548 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -139.64 89.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.17 120.74 41.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 10.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -112.95 96.25 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.454 ' N ' HG22 ' A' ' 185' ' ' VAL . 26.7 t -123.86 115.35 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.521 ' OD1' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -103.81 176.6 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 179' ' ' ASN . 11.1 mtt180 -91.2 53.78 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CG ' ' OD1' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -138.48 -91.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.62 -74.52 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 10.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -177.47 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 10.0 109.321 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -170.36 148.81 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' CB ' ' HG ' ' A' ' 83' ' ' LEU . 27.5 m -106.13 17.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 153.89 -146.88 15.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.11 . . . . 10.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 157.27 176.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 10.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.485 HG21 ' CD1' ' A' ' 72' ' ' ILE . 19.2 mm -115.84 116.39 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -151.35 58.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 10.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.54 ' CG1' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -87.28 177.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -122.99 58.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.09 109.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 10.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -53.61 -97.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 174.8 62.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 -83.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 68' ' ' LEU . 12.9 mt-10 -129.14 -159.97 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 142' ' ' ALA . . . -49.91 88.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.142 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm? -116.56 107.18 14.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' CG1' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -156.12 84.45 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 10.0 109.238 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.668 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 1.6 pp -97.5 59.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 60' ' ' ILE . 0.3 OUTLIER 178.23 52.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 10.0 109.589 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 58' ' ' ILE . 40.0 mm -102.56 59.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -80.02 69.4 6.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 10.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.38 84.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 15.1 m120 -153.55 -42.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 10.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.446 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 60.8 p 173.16 80.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 10.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -88.54 -28.47 20.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 10.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.83 152.07 7.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 10.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.02 135.07 18.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 10.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.01 70.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 171' ' ' ASP . . . -144.17 166.17 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 75.0 m -110.47 127.54 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -140.22 97.16 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.39 148.21 26.12 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 10.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.498 ' C ' ' CG ' ' A' ' 86' ' ' HIS . 7.3 t80 -162.47 123.26 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 10.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CG ' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 165.17 117.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 10.0 109.628 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mm -50.72 101.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.98 174.07 15.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 10.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.93 -176.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -111.68 92.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 57.58 116.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 10.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' SG ' ' A' ' 186' ' ' CYS . 1.7 t -89.06 122.98 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' VAL . 71.5 m 66.24 155.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 10.0 108.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' CYS . 55.7 t 61.49 122.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.254 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 60.73 108.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.46 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER 65.24 173.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -169.29 89.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.42 -63.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 t -173.7 78.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 10.0 109.935 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 87.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.5 -150.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 10.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.85 -119.07 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.59 5.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 10.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -90.15 63.96 5.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 10.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.02 145.27 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.6 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 10.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 54.29 100.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 10.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -42.98 -56.83 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.76 170.06 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.2 m170 71.92 52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 123.78 -172.56 16.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 10.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 1.3 t80 71.95 -66.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 10.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 1.6 m-80 160.27 121.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.07 156.73 2.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.25 15.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -122.78 17.7 10.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.11 -143.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.7 -164.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -105.86 174.39 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 10.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -45.15 -58.08 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.84 -45.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 10.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.52 148.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 pp -89.57 156.84 47.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.58 22.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -74.73 63.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.439 HD13 ' ND2' ' A' ' 75' ' ' ASN . 40.6 mt -138.72 68.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.499 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -157.45 74.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.63 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.2 OUTLIER -179.48 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 11.88 -120.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -97.55 17.24 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 10.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.485 ' CB ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -59.07 -16.42 18.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.446 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -99.07 0.29 57.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 10.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 132' ' ' ALA . 2.2 mttt -84.56 89.45 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.497 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -115.45 124.09 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.508 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 9.1 p-10 -121.05 68.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 137' ' ' ASP . 27.0 m -157.82 167.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -149.17 169.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -155.97 112.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 140' ' ' MET . 13.7 t-20 53.79 103.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -155.91 133.03 6.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 10.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.99 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 10.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 146' ' ' SER . 4.1 m-20 -174.68 72.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' A' ' 69' ' ' ASP . 41.9 p -57.06 85.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 10.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' ASP . 0.3 OUTLIER 60.82 12.76 3.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 10.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 148' ' ' LYS . 9.1 mt -77.01 -41.56 42.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.483 ' HE3' ' CA ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER 65.88 144.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.483 ' CA ' ' HE3' ' A' ' 148' ' ' LYS . 0.4 OUTLIER -151.26 -94.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -103.48 -33.45 4.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.05 16.9 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 153' ' ' LEU . 7.1 mtmm 73.04 -171.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -35.35 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 7.6 t-20 83.07 29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -97.57 -15.27 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.474 HD12 ' CA ' ' A' ' 160' ' ' GLY . 0.1 OUTLIER -83.85 -169.0 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.55 43.44 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.32 4.86 4.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.74 -34.15 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.474 ' CA ' HD12 ' A' ' 156' ' ' LEU . . . 69.05 142.73 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 10.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.53 137.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 10.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 189' ' ' LEU . . . -125.65 170.1 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 10.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 165' ' ' ILE . 1.7 p90 -87.56 125.77 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 10.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -108.22 134.25 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 163' ' ' PHE . 2.1 mp -111.54 176.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 10.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.621 ' CG ' ' HB ' ' A' ' 184' ' ' ILE . 2.8 t-80 94.79 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' HG3' ' HA ' ' A' ' 182' ' ' ALA . 1.4 tt0 60.41 4.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 166' ' ' HIS . 50.1 mm-40 -92.92 175.56 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . -110.86 150.53 29.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.8 t0 83.86 115.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.457 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -173.82 -173.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -43.6 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 174' ' ' THR . 1.1 mm? -101.63 -28.25 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 10.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ASP . 7.8 t 34.02 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 1.2 m-20 -173.36 175.4 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.96 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.485 1.781 . . . . 10.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.4 t -142.91 21.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -58.38 -115.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 10.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.456 ' CB ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 m-80 -113.32 57.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 87.5 p -119.8 81.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.494 ' H ' ' CE1' ' A' ' 166' ' ' HIS . . . -98.04 -86.54 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 183' ' ' ARG . . . -179.29 111.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 10.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER 32.33 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.621 ' HB ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -116.85 -59.9 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 1.4 p -90.49 107.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.413 ' SG ' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -150.91 140.85 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 10.0 108.258 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -85.21 -39.27 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 67.36 119.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 10.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.519 ' O ' ' CD1' ' A' ' 189' ' ' LEU . 0.8 OUTLIER -155.46 59.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.3 pp -99.77 170.02 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 10.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -51.55 105.2 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -119.03 116.12 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 10.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 179.2 143.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.96 145.5 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 10.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -66.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.266 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -100.81 125.37 54.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.73 145.19 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -164.29 153.8 13.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 10.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -109.05 -63.3 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.79 122.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -47.19 -55.63 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 10.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.63 -128.92 1.03 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 10.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' C ' ' CG ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -56.2 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 10.0 109.596 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 171.41 159.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 10.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' VAL . 14.2 m -83.73 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -55.28 140.22 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 10.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -113.11 71.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 10.0 109.274 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 53' ' ' LYS . 1.4 t -81.49 127.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 10.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' OD1' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.08 153.19 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.54 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HG3' ' CA ' ' A' ' 178' ' ' GLY . 2.8 mm-40 -110.18 -53.41 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 10.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -35.27 -40.62 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 87.71 -29.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.504 ' O ' ' CD2' ' A' ' 77' ' ' LEU . . . 169.11 146.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 20.6 m -112.85 9.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 10.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.603 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 140.98 -119.27 1.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 10.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.43 157.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 10.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CG1' HG23 ' A' ' 45' ' ' VAL . 13.8 mm -109.25 92.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 79.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -84.78 141.82 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.68 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.03 59.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 10.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.2 mm-40 -2.7 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 p -83.22 175.88 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.54 75.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.54 -80.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.1 tt0 -155.5 160.16 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.731 ' H ' ' NZ ' ' A' ' 148' ' ' LYS . . . 39.85 -97.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 10.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -149.19 159.8 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.3 OUTLIER -157.71 28.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 10.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 0.5 OUTLIER -87.62 177.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -122.16 73.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' HD11 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -94.41 112.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -157.47 164.9 36.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 110.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . . . 86.2 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 25.2 m-20 -128.83 -22.66 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 83' ' ' LEU . 4.8 t -109.34 123.76 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 3.7 mt -53.47 -48.68 68.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.3 mtp180 156.53 -46.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.02 125.28 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 10.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . -24.91 93.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 10.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' O ' ' CA ' ' A' ' 129' ' ' GLU . . . -113.79 169.17 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.763 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 1.6 m -118.81 96.12 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 10.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -105.77 100.62 10.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 10.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.31 53.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 10.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 p90 -135.96 126.65 27.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 10.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 165.73 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.9 mm -39.55 155.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.67 171.55 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -108.63 -63.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -137.58 147.42 45.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 60.2 127.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 10.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 188' ' ' ALA . 1.7 m -102.27 46.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 10.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.6 m 65.07 63.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 108.346 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.5 t -127.97 128.5 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 66.85 89.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.41 2.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 10.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 -64.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -161.42 73.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.0 74.36 3.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 10.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -100.36 76.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 109.932 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.54 -68.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.44 96.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 10.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.35 115.67 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 105' ' ' PHE . 18.2 Cg_endo -75.0 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 104' ' ' PRO . 2.7 t80 79.54 -9.85 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 105' ' ' PHE . 3.6 m-20 155.62 145.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 10.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.7 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 10.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -155.4 -70.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 10.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 18.8 pttt -140.47 -132.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 2.5 mm-40 46.33 -172.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 113' ' ' GLY . 24.4 t-80 -89.67 168.95 11.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 10.0 109.586 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 112' ' ' HIS . . . -35.3 -71.23 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 10.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.0 t80 -67.53 -67.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 0.8 OUTLIER 158.95 45.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -60.63 176.12 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 10.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.02 157.56 42.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.78 . . . . 10.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' PRO . 1.3 mtt 36.03 32.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . 52.57 175.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 10.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -79.81 -73.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 10.0 109.609 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.568 ' N ' ' CG ' ' A' ' 120' ' ' HIS . 5.5 t-80 -178.27 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 10.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -172.48 -97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 10.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . -142.82 24.67 2.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 10.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 78.47 175.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 10.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.55 108.59 48.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.367 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 124' ' ' ASP . 18.1 Cg_endo -75.05 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 10.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -85.15 169.93 13.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 68.74 63.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.509 ' CA ' ' O ' ' A' ' 81' ' ' ALA . 2.6 pt-20 -148.79 58.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 10.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -176.8 165.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . -56.58 -148.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 10.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 87.35 -11.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER 77.42 38.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.76 93.42 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.57 59.44 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 10.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -118.99 159.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 136' ' ' VAL . 0.6 OUTLIER 172.03 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 10.0 109.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.8 OUTLIER -136.18 113.24 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 16.2 mm -113.86 -110.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 10.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.42 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -82.74 -149.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 140' ' ' MET . 11.0 t-20 66.35 29.29 9.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.96 139.34 34.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 10.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.439 ' HA ' ' CE ' ' A' ' 148' ' ' LYS . 2.4 t70 176.11 74.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 10.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 146' ' ' SER . 43.7 p -112.93 55.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.591 ' O ' ' C ' ' A' ' 147' ' ' LEU . 5.2 p 86.99 -159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.1 OUTLIER 25.2 54.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.731 ' NZ ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -120.78 -137.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -71.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -50.36 -92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -45.08 42.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 10.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.581 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER 65.16 98.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.581 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER 24.21 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -109.85 22.68 15.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 10.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -113.51 -33.12 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 10.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.527 ' C ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -86.13 -159.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -83.79 149.12 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.7 OUTLIER -32.54 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 10.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -86.9 -50.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 130.87 -87.15 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.1 p 87.01 170.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 10.0 109.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.439 ' HB2' ' C ' ' A' ' 187' ' ' GLY . . . -141.5 179.54 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -82.23 167.08 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 186' ' ' CYS . 3.1 pt -121.65 145.73 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 83' ' ' LEU . 4.8 mp -98.58 98.42 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.518 ' HB2' ' CB ' ' A' ' 182' ' ' ALA . 4.9 p80 -116.29 175.45 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 43.86 26.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.461 ' C ' ' CD ' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -83.96 176.0 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -110.77 168.94 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -77.13 -152.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -108.69 75.92 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 10.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 52.95 47.47 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 10.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 174' ' ' THR . 3.4 tp -148.04 -74.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.474 ' O ' ' O ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER 43.02 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 10.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.588 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 1.1 m-20 176.29 -56.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.04 53.29 3.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 10.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 176' ' ' PRO . 1.7 p 38.31 33.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' CA ' ' HG3' ' A' ' 51' ' ' GLU . . . -76.9 -36.24 36.95 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.472 1.108 . . . . 10.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -172.12 119.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 72.4 p -174.36 36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -168.58 118.16 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 166' ' ' HIS . . . -38.98 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER 82.91 60.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.271 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -131.51 -40.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 165' ' ' ILE . 0.2 OUTLIER -139.13 125.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 164' ' ' ILE . 19.7 p -147.98 152.17 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.439 ' C ' ' HB2' ' A' ' 162' ' ' ALA . . . -129.72 154.43 20.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 10.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.463 ' CA ' HG13 ' A' ' 45' ' ' VAL . . . -179.89 176.54 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 10.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 189' ' ' LEU . 0.1 OUTLIER 64.52 81.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 190' ' ' LEU . 0.0 OUTLIER -38.59 151.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -99.74 75.31 0.47 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 10.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 171.84 119.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 10.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 47.24 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.2 48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.03 149.61 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 10.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLU . 14.0 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 t 66.56 -73.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 26.5 mt-10 -87.55 168.32 13.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 10.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.4 p -107.04 -167.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -58.69 172.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.95 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -127.6 149.38 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.28 158.25 33.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 10.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 152.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 10.0 109.553 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.84 130.59 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' O ' HD12 ' A' ' 47' ' ' LEU . 2.7 t -137.69 60.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 10.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.84 140.23 57.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -124.32 111.1 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.94 100.73 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.555 ' HA ' ' CG2' ' A' ' 185' ' ' VAL . 12.1 m-80 -83.02 139.02 33.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 52.67 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -134.4 -71.9 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 10.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.59 -83.77 1.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 10.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -175.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 10.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -146.69 166.85 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.3 m -155.1 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.603 ' HA3' ' HA ' ' A' ' 74' ' ' ALA . . . 142.65 -155.72 25.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.3 p90 175.86 175.62 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 8.1 mm -103.25 116.81 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -156.09 58.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.551 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 10.2 pt -84.45 154.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.74 76.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 10.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.609 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -19.47 119.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.162 . . . . 10.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.545 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -102.67 179.72 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 10.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.44 71.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 10.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.97 -73.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -154.58 143.72 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.32 -152.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 145' ' ' THR . 0.9 OUTLIER -87.51 115.86 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 10.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.545 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -115.17 36.24 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 10.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.602 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pp -82.39 -179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 85.81 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 70' ' ' ILE . 1.0 OUTLIER -135.4 123.72 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.75 115.41 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . . . -66.25 82.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' C ' ' A' ' 55' ' ' VAL . 21.7 p-10 -113.33 -154.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 64.12 55.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -128.48 -153.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 164.13 -52.64 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 10.0 110.254 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.0 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 10.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 15.82 62.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 10.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -90.62 157.94 17.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 10.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 168' ' ' GLN . 7.9 m -84.46 114.84 22.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -104.0 83.19 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -32.69 -75.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 48.21 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 10.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 87' ' ' ILE . 4.0 t-160 171.77 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.55 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.47 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -51.25 132.55 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 10.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -155.42 148.15 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 10.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' TYR . 7.4 pt-20 -30.67 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 164' ' ' ILE . 13.5 mttt -100.49 118.37 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 162' ' ' ALA . . . -147.22 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 188' ' ' ALA . 6.5 t -80.48 82.74 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 10.0 109.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -42.61 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 108.292 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.2 t 48.41 73.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 63.01 82.83 0.21 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 10.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 10.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.19 121.01 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 55.16 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.03 138.94 58.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 10.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.79 91.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 10.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.55 -70.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.43 -97.61 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 10.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.47 -146.53 18.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 10.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -42.84 163.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.504 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER 163.57 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -75.0 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.422 1.748 . . . . 10.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 67.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 107' ' ' PRO . 11.6 t30 -130.18 -63.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -88.34 -69.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 10.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.51 120.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.64 119.12 37.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 10.0 109.602 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.487 ' O ' ' CE1' ' A' ' 121' ' ' HIS . . . -158.19 -145.82 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.115 . . . . 10.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -102.89 14.99 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 10.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 116' ' ' ASN . 63.5 t-20 -165.34 -69.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 157.7 -53.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -74.98 -75.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 10.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.3 mmm -89.23 25.86 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 10.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.68 151.65 20.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 10.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.409 ' N ' ' HA3' ' A' ' 113' ' ' GLY . 1.2 p-80 -160.95 112.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 10.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 113' ' ' GLY . 3.8 m170 -109.22 -75.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.616 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -163.21 -48.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 113.39 33.81 1.87 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 10.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -75.55 128.36 35.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -84.43 -58.78 0.36 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.07 173.65 14.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 10.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -107.53 76.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.94 61.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 10.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.3 mm-40 -84.25 58.47 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 10.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 35.39 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.55 -38.14 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 10.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -108.35 11.95 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 10.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 73.53 28.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 10.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 74' ' ' ALA . . . 54.28 50.39 56.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.79 85.64 7.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 10.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.9 m -144.95 94.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.601 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 25.6 p-10 -116.32 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.601 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 6.3 m 54.04 159.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -146.6 147.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -125.12 144.6 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 140' ' ' MET . 7.9 t30 78.83 91.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.44 153.96 81.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 10.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -179.53 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.534 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 17.3 p -84.89 79.25 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.9 104.13 16.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 10.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 45.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -148.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -120.07 -48.41 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -37.52 -53.36 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 10.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -109.28 -31.66 7.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 10.0 109.988 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.596 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER 53.29 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.596 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER 24.37 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 2.3 t30 -77.1 0.79 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.553 ' O ' ' CA ' ' A' ' 160' ' ' GLY . 4.8 pt -85.62 59.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -119.55 55.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -151.35 76.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.4 tt0 86.51 -36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 10.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -83.96 -41.66 17.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 10.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -60.19 -145.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 10.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.481 ' C ' ' HG ' ' A' ' 189' ' ' LEU . 3.6 m 79.57 163.86 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 10.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.436 ' N ' ' HA3' ' A' ' 91' ' ' GLY . . . -82.75 176.72 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.04 146.88 25.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 13.6 mt -93.86 126.99 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 186' ' ' CYS . 0.1 OUTLIER -133.07 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -167.73 149.4 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 10.0 109.582 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.461 ' CG ' ' CB ' ' A' ' 182' ' ' ALA . 2.6 pt-20 -68.93 56.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 2.6 mm-40 -84.59 179.49 7.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 68.03 127.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 179' ' ' ASN . 1.1 p30 -68.53 136.79 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 173' ' ' LEU . 7.6 m-20 -137.21 150.86 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 10.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 55.19 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 171' ' ' ASP . 0.4 OUTLIER -142.09 -50.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 10.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 173' ' ' LEU . 2.4 t 42.7 36.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 10.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.8 OUTLIER -50.84 -52.89 53.03 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.45 76.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 10.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 179' ' ' ASN . . . -105.45 -34.54 3.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 10.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -163.67 119.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.5 p -179.43 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 10.0 110.069 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -169.08 111.25 0.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 10.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 167' ' ' GLU . . . -170.18 114.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.0 OUTLIER -86.99 80.52 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.248 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.06 0.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.555 ' CG2' ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -110.83 102.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -155.07 137.76 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 108.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -93.93 -142.12 11.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' SER . . . -165.52 104.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 189' ' ' LEU . 0.0 OUTLIER -137.28 99.8 4.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 10.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 189' ' ' LEU . 0.4 OUTLIER 36.66 88.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -86.8 -175.52 49.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 10.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.86 161.91 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 0.787 . . . . 10.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.8 t30 67.43 146.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 10.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.26 170.05 9.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.05 151.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 10.0 110.266 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -167.13 169.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.59 176.07 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.0 p -139.6 -173.61 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 10.0 110.448 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -105.29 170.84 7.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 10.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.548 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . -176.98 117.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 10.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 23.8 m-85 -148.71 104.06 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 164.98 -124.71 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 190' ' ' LEU . 46.9 m-70 -52.83 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 10.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 74.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.595 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 2.2 t -135.34 87.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.17 97.58 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 10.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.46 84.53 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 ' O ' ' HB ' ' A' ' 185' ' ' VAL . 2.4 t -126.32 110.37 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.1 m-80 -81.8 162.18 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.44 33.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.37 -85.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.91 -75.73 0.74 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -176.21 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.5 169.15 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.511 ' C ' ' O ' ' A' ' 75' ' ' ASN . 25.1 m -146.0 10.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 74' ' ' ALA . . . 133.35 171.02 12.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -165.58 175.5 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -120.67 133.26 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 71.5 mt-10 -155.62 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.524 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -88.5 155.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 10.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.7 54.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 10.0 109.297 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' ASP . 14.3 mt-10 -145.13 -120.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 10.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 13.2 t 63.43 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER 76.33 -56.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 10.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.0 -45.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 63' ' ' SER . 7.5 pt-20 -124.96 -156.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.496 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -86.63 103.87 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 10.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.7 mp -94.0 -113.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -140.79 90.53 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 HD13 ' CD1' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -84.51 173.5 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.71 89.11 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.524 ' CG2' ' CG2' ' A' ' 60' ' ' ILE . 1.6 pp -138.39 72.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.88 81.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 10.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . . . -60.23 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.537 ' HA ' ' HA3' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -82.54 128.54 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 4.5 m -113.94 53.79 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -35.8 -37.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -44.77 127.65 5.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.3 Cg_endo -75.04 133.25 16.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.77 64.69 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.42 1.075 . . . . 10.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 78' ' ' ARG . . . -117.05 176.23 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 10.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 3.7 m -127.71 116.83 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 1.5 mm? -110.38 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.26 160.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 10.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.661 ' CD2' ' CE2' ' A' ' 163' ' ' PHE . 43.7 t80 -169.73 104.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 10.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ILE . 3.0 t-160 -176.2 111.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.2 tp -40.01 147.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 173.61 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 10.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -101.73 50.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.45 158.07 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 10.0 109.234 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.2 -127.45 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 10.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.458 ' HA ' ' CB ' ' A' ' 188' ' ' ALA . 8.5 t -84.62 64.19 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 10.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER 40.28 81.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 10.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.8 161.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 10.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 60.99 150.8 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 16.3 p-10 177.22 128.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER 178.32 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.008 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.7 168.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.81 110.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.94 -69.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.56 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 10.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.62 158.47 15.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 10.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.51 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.89 107.7 0.66 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 10.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 10.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -78.01 70.02 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 10.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.75 68.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 111' ' ' GLU . 5.9 mtmt 50.87 56.04 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' CG ' ' C ' ' A' ' 110' ' ' LYS . 3.1 pt-20 39.3 89.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -158.33 140.69 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 10.0 109.641 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.71 -24.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 10.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.73 -46.6 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' ASN . 0.4 OUTLIER -162.48 -43.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER 166.11 -52.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 116' ' ' ASN . 18.5 Cg_endo -74.98 124.12 8.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 33.95 37.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 10.0 110.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . -57.96 176.07 1.93 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 10.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 121' ' ' HIS . 14.6 t60 66.86 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.613 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m-70 171.8 -177.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 10.0 109.563 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.9 -1.91 33.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 10.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.32 18.48 58.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -166.4 155.83 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 10.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -151.42 64.32 5.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.04 156.79 42.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 10.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -76.19 58.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.4 mt -151.16 59.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.441 ' CA ' ' O ' ' A' ' 81' ' ' ALA . 4.6 pt-20 -155.51 62.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -171.07 163.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.503 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.27 42.36 3.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 10.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.604 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -73.42 -59.35 2.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.604 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 6.0 p-10 147.72 -11.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' A' ' 75' ' ' ASN . . . 80.58 66.46 1.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.475 ' CG ' ' OD1' ' A' ' 133' ' ' ASP . 0.3 OUTLIER -85.95 58.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 10.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.8 t -130.99 90.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.519 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 8.3 p-10 -158.74 176.35 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.519 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER 61.15 138.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -108.44 166.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 10.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 17.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.0 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.496 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -85.93 124.47 70.66 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 10.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -168.93 65.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 10.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.44 ' O ' ' OG ' ' A' ' 146' ' ' SER . 4.3 p -71.1 88.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.544 ' O ' ' C ' ' A' ' 147' ' ' LEU . 59.9 p 60.28 -144.11 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER 28.15 47.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 10.0 109.356 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.452 ' HE3' ' CB ' ' A' ' 151' ' ' SER . 11.5 mmmt -91.56 176.63 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 10.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -37.49 3.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 10.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -116.89 -61.69 0.32 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 10.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.452 ' CB ' ' HE3' ' A' ' 148' ' ' LYS . 3.1 t -47.22 -32.11 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.693 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.1 ttpt 56.09 98.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.693 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER 9.45 72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 152' ' ' LYS . 34.3 t30 -97.96 50.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 10.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.448 ' CG2' ' HG2' ' A' ' 195' ' ' LYS . 1.5 pp -106.15 -6.26 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.473 ' CD1' ' HA2' ' A' ' 160' ' ' GLY . 0.2 OUTLIER -127.67 -76.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.36 160.71 41.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 10.0 109.244 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -22.32 64.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -45.66 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 147.31 176.55 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.9 p 160.55 149.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 10.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.46 ' HB3' ' N ' ' A' ' 191' ' ' GLY . . . -155.79 175.38 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.661 ' CE2' ' CD2' ' A' ' 85' ' ' PHE . 15.7 p90 -105.59 166.69 10.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 10.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.565 HD11 ' CG ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -116.68 134.36 60.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -102.57 112.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.565 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -175.33 174.33 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.553 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.402 ' CA ' ' HA ' ' A' ' 180' ' ' SER . 2.8 mt-10 60.52 12.07 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 10.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -128.32 162.11 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 10.0 110.313 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 76.58 -177.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 10.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 178.06 127.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 19.1 p-10 -98.6 37.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER 69.19 29.18 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.968 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.406 ' C ' HG22 ' A' ' 174' ' ' THR . 3.3 mt -129.53 -72.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.406 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.7 OUTLIER 42.31 91.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 10.0 110.412 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.505 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.3 m-20 163.05 -52.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 10.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.0 -67.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 10.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 50.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -66.26 -88.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.99 -45.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 10.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.403 ' HB3' ' C ' ' A' ' 168' ' ' GLN . 46.1 p -89.78 37.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -126.47 90.13 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 10.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 66.38 174.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 10.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.5 OUTLIER -55.22 122.42 11.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 10.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 181' ' ' GLY . 0.8 OUTLIER -119.03 -55.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 48' ' ' VAL . 3.1 p -134.8 149.71 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 16.6 t -155.89 134.12 11.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -72.94 -76.0 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 92' ' ' SER . . . 67.71 137.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 10.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 190' ' ' LEU . 8.6 mt 69.4 100.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.491 ' CD2' HD11 ' A' ' 153' ' ' LEU . 0.2 OUTLIER 39.31 94.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.497 ' O ' ' CE2' ' A' ' 163' ' ' PHE . . . -125.77 27.78 5.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.31 158.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 10.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -168.19 -87.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -165.37 167.7 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . 0.448 ' HG2' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -124.34 93.51 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 10.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.274 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.45 169.52 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.21 134.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -167.22 114.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -118.0 -49.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 10.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 63.07 110.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.46 -40.05 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.38 75.69 0.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.9 m80 53.07 -173.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 10.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -168.88 122.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.639 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 1.4 p -96.82 60.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 45' ' ' VAL . 15.8 pt20 -27.5 133.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.59 102.26 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.67 135.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CB ' ' HB ' ' A' ' 185' ' ' VAL . 0.0 OUTLIER -113.66 167.87 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -91.28 26.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.96 -80.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 10.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 -79.93 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 10.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -176.41 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 10.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.54 172.12 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -128.16 3.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.32 -117.62 1.47 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.6 OUTLIER 167.55 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 10.0 110.965 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -107.86 97.9 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -156.13 79.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 110.255 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -85.17 161.02 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -93.61 -174.16 3.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 3.3 mt-10 -88.78 115.18 26.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 10.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.431 ' HA ' ' OD2' ' A' ' 69' ' ' ASP . 87.4 p -83.07 -47.59 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 110.055 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 76.56 34.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -52.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.84 -164.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.26 -92.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -88.83 -167.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 10.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 15.4 t0 -136.44 -146.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.583 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -101.72 111.46 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 10.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 1.7 m170 158.54 55.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 60' ' ' ILE . 1.4 pp -153.93 68.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 m -86.69 58.71 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.18 91.34 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.517 ' HB2' ' CG1' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -116.6 -48.47 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 10.6 p 159.34 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 110.045 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.35 -24.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 76' ' ' SER . 12.8 mtp-105 -79.79 163.32 58.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.0 142.62 28.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 10.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.04 75.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 76' ' ' SER . . . -114.36 176.24 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.514 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 4.3 m -149.68 97.96 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -94.39 113.31 25.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.24 104.21 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -124.25 164.12 20.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 10.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 172.88 71.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 10.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mm 64.8 148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.357 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -152.13 175.51 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.53 71.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 10.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.85 144.96 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 10.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p -84.67 133.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.1 65.97 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 ' O ' ' HD3' ' A' ' 95' ' ' ARG . 3.4 m -117.67 -8.93 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 169.39 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 10.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.1 Cg_endo -74.99 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 69.39 -62.22 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.7 OUTLIER 45.78 52.75 9.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 10.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -42.39 136.39 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 10.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 -50.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 10.0 109.939 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.63 -72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.37 147.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.501 1.126 . . . . 10.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 104' ' ' PRO . . . 123.77 136.37 4.71 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 103' ' ' GLY . 18.3 Cg_endo -74.94 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 10.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 56.81 105.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -80.48 141.55 52.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 10.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -75.02 61.56 5.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 10.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.1 mp 38.13 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -99.85 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -103.42 -89.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -124.19 175.75 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.49 155.43 19.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . 149.77 155.08 6.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.101 . . . . 10.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 115' ' ' ASN . 45.5 p90 -55.1 -43.69 74.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 10.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.585 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 52.2 t-20 -177.86 47.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.59 168.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -32.66 38.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.19 168.49 12.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 10.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 113' ' ' GLY . 5.0 p-80 -153.03 137.68 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 10.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 7.1 m80 -98.25 -64.1 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 10.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 121' ' ' HIS . . . 85.89 -46.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.72 -30.96 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 10.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -161.29 151.21 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 10.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 69.66 15.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.8 21.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.52 72.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 10.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.481 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.2 OUTLIER -160.0 64.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 10.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -149.26 69.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.4 OUTLIER -173.1 166.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.79 34.18 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 10.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -58.16 -41.11 83.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.736 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 5.3 m-20 150.3 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.445 ' HA2' ' ND2' ' A' ' 75' ' ' ASN . . . 86.76 44.9 5.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.15 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 106.59 15.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 75' ' ' ASN . 3.7 m -151.66 76.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.511 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -95.64 176.31 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 10.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.511 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 65.25 160.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -136.03 153.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.62 109.86 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.9 t30 51.44 96.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 10.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.58 161.04 55.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 10.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -67.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 10.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -166.07 41.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 147' ' ' LEU . 25.1 p -92.07 69.61 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 148' ' ' LYS . 0.9 OUTLIER -74.69 79.79 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -88.97 44.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 10.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -163.21 29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 10.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -85.41 -99.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 10.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.35 -25.88 3.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 10.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -123.62 174.82 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 10.0 109.983 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 151' ' ' SER . 8.9 mmtt -38.07 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 154' ' ' ASN . 0.1 OUTLIER -94.57 -106.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 14.8 t-20 167.17 -30.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.7 pt -91.33 50.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.16 101.06 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 173.85 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -38.06 -59.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 -52.04 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.22 -121.7 1.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 10.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 12.8 t 172.9 157.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.461 ' HB3' ' CG2' ' A' ' 45' ' ' VAL . . . -155.82 154.82 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 10.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.24 106.26 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.408 HG21 ' CB ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -84.4 123.62 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 185' ' ' VAL . 4.0 mp -108.47 155.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -174.75 174.72 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.38 3.51 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -84.35 173.51 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 10.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 166.87 -164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.404 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 5.0 p-10 -137.54 -177.73 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -89.49 32.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 62.8 mt -128.67 -80.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 10.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 1.2 t 42.38 77.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 110.387 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.8 OUTLIER 164.83 -53.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 10.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 -37.17 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 10.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.72 -63.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 59.9 119.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -109.75 -146.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 10.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 168' ' ' GLN . 48.2 t 178.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 176.02 -130.82 1.76 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 10.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 56.34 165.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.44 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 10.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 1.0 OUTLIER -107.42 -63.8 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.488 ' N ' ' CG2' ' A' ' 184' ' ' ILE . 1.5 p -96.51 126.47 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.79 137.68 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 10.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 46' ' ' GLN . . . -52.09 -55.29 22.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 10.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 189' ' ' LEU . . . 67.71 106.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 10.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 188' ' ' ALA . 11.9 mt 59.88 120.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 3.8 pp -75.01 57.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 85.29 105.49 0.67 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -83.98 157.13 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -174.98 -65.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -162.3 -64.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? 64.2 162.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 110.275 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 p -112.33 -178.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 10.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' CG2' ' A' ' 38' ' ' THR . 13.0 mt-10 66.21 171.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 10.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 39.62 88.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.429 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -170.81 123.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -107.29 -55.13 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 59' ' ' GLU . 2.1 p90 -33.64 -40.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 110.71 -129.23 9.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 10.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . 21.7 m80 -51.58 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.413 ' HA ' ' CA ' ' A' ' 191' ' ' GLY . 13.3 p-80 169.51 166.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 10.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG12 ' CD2' ' A' ' 47' ' ' LEU . 3.6 t -88.53 93.62 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -67.21 74.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.528 ' CD2' HG12 ' A' ' 45' ' ' VAL . 7.2 mt -85.39 95.34 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 10.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 54' ' ' ALA . 23.5 t -116.04 125.75 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' ND2' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -85.06 115.8 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 4.8 tpt180 37.36 -105.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 10.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 7.1 mt-10 -143.13 6.07 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 10.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -44.95 -48.64 9.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.167 . . . . 10.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 170.87 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 10.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . 74.64 116.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -126.87 22.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 10.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 74' ' ' ALA . . . -118.5 108.69 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -165.47 158.44 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.02 95.73 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.4 mt-10 -119.52 74.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.559 ' CG2' ' HB ' ' A' ' 70' ' ' ILE . 1.8 pp -122.98 170.95 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 10.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -144.4 87.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -33.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -86.4 -95.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.71 -32.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 11.9 p-10 -84.14 -136.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -83.95 144.76 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.299 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 147' ' ' LEU . . . 35.82 -151.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 10.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.521 ' HG ' ' CG ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -154.85 -168.11 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.741 . . . . 10.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.47 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 1.1 m-20 -139.89 24.32 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 10.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.559 ' HB ' ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -84.38 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 137' ' ' ASP . 14.9 m170 -118.44 78.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.576 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -81.99 99.39 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -156.06 169.2 25.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' CB ' ' HA2' ' A' ' 56' ' ' GLY . . . -165.57 55.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 76' ' ' SER . 9.2 m-80 -158.68 170.14 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 10.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.8 p 93.05 58.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 10.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mt -60.16 -71.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.0 ttm180 158.14 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -75.01 47.66 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 10.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.45 86.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 129' ' ' GLU . . . -127.33 175.09 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 10.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.485 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 22.4 m -95.45 137.23 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.59 86.71 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 165' ' ' ILE . . . -61.14 139.33 47.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 10.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.69 120.68 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 10.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.3 130.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 10.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.551 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.0 OUTLIER -109.96 79.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -149.0 91.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 10.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -176.04 175.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 10.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -136.45 111.22 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 10.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.97 111.44 1.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 10.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . 15.2 p -85.53 156.07 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 10.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.28 131.74 47.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.69 -19.38 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 170.75 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.03 -88.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 10.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 2.5 t70 77.64 97.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 10.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -130.52 -47.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 10.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.74 -40.43 95.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.36 -61.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 10.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 41.42 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.33 -115.73 2.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.69 -149.38 43.22 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -176.98 3.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 10.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -133.77 78.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 179.52 143.63 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 10.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.8 59.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -111.37 -63.03 1.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -170.25 45.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.61 110.47 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 11.6 t-80 179.48 61.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.47 -171.49 19.83 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 10.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.27 -59.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 10.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ASN . 47.4 t-20 178.35 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 115' ' ' ASN . 5.4 m-20 -42.63 163.56 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 10.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.62 14.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 10.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 mmt -92.35 -43.41 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 10.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.87 166.38 25.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 121' ' ' HIS . 1.6 p80 -145.57 -75.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 10.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 120' ' ' HIS . 8.8 m-70 -136.44 -173.84 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 10.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.52 -54.28 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 10.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.86 -35.19 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 10.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -168.27 133.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 10.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.31 87.35 7.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 10.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -73.02 59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 mt -144.07 69.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.498 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 6.2 pt-20 -150.86 59.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.514 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.2 OUTLIER 168.91 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 10.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -58.19 151.36 31.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 69.66 -55.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLY . 1.4 m-20 -53.29 -21.08 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -102.66 -5.35 48.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 10.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -82.73 80.3 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 10.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.401 ' C ' ' CG ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -106.46 172.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 165.42 112.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.6 m -83.61 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 16.9 mm -115.31 -116.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.16 179.64 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 141' ' ' ASN . 9.0 t30 60.25 22.63 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.27 145.93 46.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 10.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 10.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 168.36 69.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 146' ' ' SER . 1.6 p -88.65 69.86 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 10.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 145' ' ' THR . 1.5 p 91.88 -9.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.521 ' CG ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.22 17.11 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -37.59 133.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.303 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 148' ' ' LYS . 0.1 OUTLIER -44.26 -92.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -73.46 -61.79 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 148' ' ' LYS . 0.5 OUTLIER -70.94 -176.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 10.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.73 144.7 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 10.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 33.36 84.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.365 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -89.57 19.2 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 10.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -105.78 -22.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 157' ' ' ASP . 4.1 pp -107.16 -156.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 159' ' ' ASP . 93.0 m-20 -85.97 69.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 65.93 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.8 m-20 -152.13 27.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -125.41 124.1 5.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 35.8 p -171.84 136.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 10.0 110.047 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.71 120.07 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 10.0 109.359 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.551 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 3.8 m-85 -87.48 148.03 25.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.77 100.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.34 137.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 10.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.421 ' HB2' ' N ' ' A' ' 183' ' ' ARG . 1.1 p-80 -177.32 175.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.11 4.36 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 175.37 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.412 ' HB3' ' CE1' ' A' ' 172' ' ' TYR . . . -151.48 142.97 23.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.88 -56.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.43 ' HB3' ' ND2' ' A' ' 179' ' ' ASN . 8.2 t70 -93.3 92.06 7.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 169' ' ' ALA . 41.9 m-85 -83.63 59.63 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 174' ' ' THR . 4.4 mt -128.52 -41.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER -35.09 153.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.494 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -51.48 -52.71 57.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.03 42.98 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 10.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 176' ' ' PRO . 0.2 OUTLIER 31.43 42.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 10.0 110.026 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 176' ' ' PRO . . . 163.69 112.2 0.27 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.491 ' HA ' ' CG2' ' A' ' 174' ' ' THR . 3.5 p30 -72.74 -5.81 40.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 10.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.442 ' CA ' HD13 ' A' ' 184' ' ' ILE . 1.7 m -117.0 77.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -92.39 64.03 2.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.128 . . . . 10.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 58.54 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.421 ' N ' ' HB2' ' A' ' 166' ' ' HIS . 35.9 mtm180 41.01 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.442 HD13 ' CA ' ' A' ' 180' ' ' SER . 0.0 OUTLIER -136.89 -49.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 48' ' ' VAL . 4.0 t -101.72 118.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 6.1 t -155.95 133.95 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 10.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.516 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -104.02 -146.02 15.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 92' ' ' SER . . . -171.49 104.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 10.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.5 mt 69.83 139.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 10.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 191' ' ' GLY . 3.8 pp -55.74 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.425 ' N ' HD13 ' A' ' 190' ' ' LEU . . . -116.82 75.79 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.56 1.162 . . . . 10.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -166.95 177.06 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 10.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -100.66 169.74 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 10.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.2 170.48 14.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 127.76 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 10.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 110.289 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 38' ' ' THR . 35.6 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -43.27 148.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.58 93.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 35' ' ' VAL . 38.4 p -129.32 -164.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.402 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 97.7 p -117.22 176.51 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 10.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.84 -73.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 10.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.61 158.33 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.31 107.7 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 10.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 1.8 p-80 -161.66 147.06 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 10.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -130.98 59.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' CG1' ' A' ' 58' ' ' ILE . 59.2 t -134.8 65.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.61 131.55 34.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.78 89.6 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -109.37 114.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.0 m-80 -82.01 146.83 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 10.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 4.73 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -107.99 -70.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 10.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -92.33 13.43 67.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 10.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 4.1 tttt 69.62 -60.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -177.46 139.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 77' ' ' LEU . 31.1 m -118.08 -9.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.44 -144.17 3.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 169.84 175.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 10.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.439 ' CD1' HD13 ' A' ' 47' ' ' LEU . 19.1 mm -112.95 107.99 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mt-10 -109.04 97.15 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 61' ' ' LYS . 16.6 mt -97.43 142.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -142.23 79.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -33.68 126.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 10.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 69.9 p -106.14 -176.6 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 10.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.77 71.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -155.8 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 10.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -125.51 -174.95 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 10.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -39.31 -86.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 10.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.54 ' CD2' ' OG1' ' A' ' 145' ' ' THR . 0.6 OUTLIER -110.45 149.69 29.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t70 -155.3 34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 HG22 ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -94.27 177.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.4 59.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 10.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.432 ' CG2' HG13 ' A' ' 60' ' ' ILE . 1.6 pp -93.41 129.93 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -155.2 67.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.975 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' O ' ' O ' ' A' ' 134' ' ' GLY . . . -36.44 133.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 10.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 75' ' ' ASN . 1.2 m-80 -78.87 162.19 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 77' ' ' LEU . 16.5 m -110.09 110.31 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -34.07 -61.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.53 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.62 -55.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 10.0 110.331 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 115.3 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.78 73.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 10.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 130' ' ' VAL . . . -37.92 133.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.429 0.723 . . . . 10.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 66.4 m -156.0 65.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.488 ' CD1' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -126.71 102.0 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 168.05 34.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 10.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.28 176.44 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 10.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.614 ' O ' ' CE2' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -99.79 169.62 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.561 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.517 ' CD1' ' HB1' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -68.05 135.88 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 10.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -116.66 160.85 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 10.0 110.97 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -142.08 -177.74 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.01 57.84 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 10.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 22.38 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 10.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 64.8 59.69 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 108.29 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.3 m -146.22 -59.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -139.46 78.53 26.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 10.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.99 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 10.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 169.24 104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 177.91 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -62.69 135.27 57.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 10.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER 159.84 70.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.25 56.02 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.43 -164.74 10.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.69 -173.98 36.62 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 10.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.63 171.87 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -95.79 157.26 36.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 10.0 109.25 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.99 166.01 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 10.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -40.23 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 10.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.28 86.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt 41.9 50.27 4.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -125.95 130.09 50.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 120' ' ' HIS . 38.5 p-80 -175.9 143.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -173.36 53.73 0.16 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 10.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.64 -63.51 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 10.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 113' ' ' GLY . 2.1 p-10 -148.02 31.98 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.411 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -47.36 173.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.98 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.84 -55.11 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 10.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.69 122.64 4.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 10.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 121' ' ' HIS . 6.0 p80 -46.68 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 10.0 109.574 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -153.03 -169.37 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.55 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -118.53 -82.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 67.06 -46.8 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 122' ' ' ALA . 1.2 t0 79.6 100.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.49 77.12 62.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.72 26.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 10.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 128' ' ' LEU . 26.1 m-20 60.35 170.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 10.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 83' ' ' LEU . 19.1 mt 43.52 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.511 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 18.7 pt-20 -135.72 123.84 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.511 ' CG1' ' C ' ' A' ' 129' ' ' GLU . 0.7 OUTLIER 68.42 161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 76' ' ' SER . . . -77.01 59.75 3.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 10.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.25 32.47 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 10.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.464 ' N ' ' HB2' ' A' ' 76' ' ' SER . 0.1 OUTLIER 62.12 16.01 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 53.08 65.05 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -86.82 78.24 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 10.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 137' ' ' ASP . 7.6 m -122.54 163.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 27.1 p-10 172.01 145.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 7.2 m -134.59 96.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 10.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -145.78 39.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 128.95 11.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 68.09 106.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' A' ' 145' ' ' THR . . . -155.35 118.16 2.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 10.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -171.56 60.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.54 ' OG1' ' CD2' ' A' ' 68' ' ' LEU . 26.1 p -88.02 74.35 8.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 10.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 153' ' ' LEU . 0.5 OUTLIER -90.75 69.0 6.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 147' ' ' LEU . 4.4 pp -81.45 48.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 10.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 151' ' ' SER . 0.6 OUTLIER -113.6 157.71 21.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 151' ' ' SER . . . -60.61 77.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LYS . 2.8 t 178.28 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' LEU . 22.0 mmtt -81.75 -54.98 4.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 10.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 9.1 t-20 64.69 9.25 5.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.482 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -112.66 -20.95 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 87' ' ' ILE . 5.7 mt -84.94 -140.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -120.67 86.17 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 10.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 157' ' ' ASP . 26.9 p-10 -90.81 -42.02 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 161' ' ' SER . . . 128.38 -106.03 0.75 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER 55.06 109.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 10.0 109.991 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.632 ' HA ' ' CE1' ' A' ' 88' ' ' TYR . . . -158.69 55.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.533 ' N ' ' OH ' ' A' ' 88' ' ' TYR . 14.2 m-85 -159.2 58.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 10.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.592 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 13.1 pt -106.78 114.72 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.591 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 1.5 mp -97.33 133.21 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.552 ' CB ' ' O ' ' A' ' 165' ' ' ILE . 1.2 p-80 159.15 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.85 -21.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.522 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 3.7 mt-30 -83.99 178.25 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -111.69 108.33 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 10.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 171' ' ' ASP . 2.6 p30 -135.94 40.63 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 170' ' ' ASP . 4.2 m-20 -178.16 111.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.99 94.11 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.408 ' O ' ' CG2' ' A' ' 174' ' ' THR . 29.9 mt -153.52 -66.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER 42.74 80.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 10.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.567 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 164.12 -55.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 10.0 109.251 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.95 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 10.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.89 67.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 179' ' ' ASN . . . -59.37 -119.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 10.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 184' ' ' ILE . 2.0 m120 175.02 81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.58 71.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 10.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 158.31 128.33 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 10.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 75.49 158.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.473 ' HA ' ' ND1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -63.63 116.76 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.301 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -120.43 -76.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.508 ' N ' ' CG2' ' A' ' 184' ' ' ILE . 2.6 p -106.51 110.9 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 161.26 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 188' ' ' ALA . . . -148.02 16.77 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 10.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 161' ' ' SER . . . -49.42 178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 10.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 190' ' ' LEU . 6.8 mt 69.4 59.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 10.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 156' ' ' LEU . 3.8 pp -38.83 156.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 43' ' ' HIS . . . -57.77 104.99 0.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 10.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -130.66 164.95 23.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -147.94 80.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -39.02 110.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 10.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 70.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.1 t 64.61 115.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -115.41 161.72 18.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 39' ' ' SER . 13.5 t -174.59 177.42 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 10.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' THR . 1.5 m -56.41 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 10.0 110.01 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 43.64 79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 10.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 11.6 m-85 63.24 51.28 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.87 -141.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 10.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -39.44 -48.92 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.18 156.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.649 ' HB ' ' CE2' ' A' ' 163' ' ' PHE . 3.0 m -96.1 114.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.12 134.35 34.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.639 HD12 ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -113.75 98.84 7.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' C ' ' CG2' ' A' ' 185' ' ' VAL . 2.5 t -130.08 108.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -83.07 163.46 20.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 10.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.16 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.1 mm-40 -108.86 -45.75 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 10.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 172' ' ' TYR . . . -35.39 -31.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 10.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 76.86 -47.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 10.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . -176.81 150.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 4.2 m -116.56 8.05 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' O ' HD22 ' A' ' 47' ' ' LEU . . . 117.67 -113.5 2.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 10.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 169.89 157.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 10.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.475 HG23 ' CB ' ' A' ' 161' ' ' SER . 12.1 mm -111.93 73.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 10.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' HIS . 10.2 mt-10 -85.96 120.11 26.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 10.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.491 ' O ' ' CE1' ' A' ' 41' ' ' PHE . 1.9 pp -125.69 172.47 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -157.55 57.43 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 10.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 61' ' ' LYS . 3.0 mt-10 26.26 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 10.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 62' ' ' GLU . 24.3 p 33.77 -147.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.01 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.55 -63.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -95.13 -170.63 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -37.06 -92.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 10.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.505 ' CD2' ' CB ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -91.56 140.41 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.6 OUTLIER -157.44 40.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.584 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.3 pp -83.48 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 10.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 59' ' ' GLU . 2.9 t-160 -125.64 74.34 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 10.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.0 pp -109.32 108.76 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -154.27 68.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 10.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 55' ' ' VAL . . . -54.61 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 10.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -95.91 -6.33 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' ' N ' ' A' ' 78' ' ' ARG . 27.0 p 42.5 57.16 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 172' ' ' TYR . 1.3 mt 39.49 -92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 164.86 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 10.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 75.3 3.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 10.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 16.5 63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 10.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.486 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -91.76 173.83 7.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 10.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.546 ' CB ' ' CB ' ' A' ' 168' ' ' GLN . 0.5 OUTLIER -100.25 122.84 43.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 10.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 130' ' ' VAL . 1.1 mm? -123.96 59.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.9 151.04 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.563 1.164 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CB ' HD13 ' A' ' 128' ' ' LEU . 13.6 t80 -168.91 137.66 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 10.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 167.19 119.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 ' CG2' ' HB2' ' A' ' 151' ' ' SER . 1.1 tp -39.2 129.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 190' ' ' LEU . 0.1 OUTLIER -107.63 176.07 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 10.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.33 -65.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 10.0 110.356 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -155.04 -171.93 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.359 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -37.2 126.28 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -113.69 -83.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 10.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -112.22 157.51 20.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 93' ' ' CYS . 41.9 t -156.62 -43.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 172.99 -53.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.96 -44.62 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 10.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.6 t0 65.25 144.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 10.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.77 -54.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.06 69.67 10.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 110.355 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -82.16 120.84 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 10.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.04 -70.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 55.88 93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 10.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.68 99.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 138.74 23.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 10.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.38 172.2 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -96.51 111.67 57.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 10.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 121' ' ' HIS . 18.2 Cg_endo -75.04 166.13 29.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 10.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.71 -71.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 10.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 111' ' ' GLU . 3.5 ptmt -167.68 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 121' ' ' HIS . 43.3 mt-10 37.37 60.15 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 10.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -171.24 136.83 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . 152.62 131.2 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 10.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 54.84 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 10.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 169.19 113.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.2 m-20 -140.31 175.94 2.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 10.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.02 -28.56 9.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 10.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.24 28.16 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.68 52.04 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 10.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 116' ' ' ASN . 4.4 p-80 -176.47 139.28 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 10.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -146.45 -172.47 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 10.0 109.597 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.19 -46.86 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 162.16 -34.62 0.35 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 10.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 162.77 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 114.01 54.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.44 16.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 10.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -116.12 58.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 85' ' ' PHE . 47.5 mt -146.75 61.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' VAL . 5.0 pt-20 -84.36 108.49 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 10.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.506 ' CG1' ' HA2' ' A' ' 80' ' ' GLY . 32.8 t -43.74 165.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 124.14 -18.63 7.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 10.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.0 3.38 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER 72.78 56.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 76' ' ' SER . . . 41.25 27.46 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 10.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 133' ' ' ASP . 15.4 mtpt -86.57 63.09 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -116.95 96.46 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.57 113.04 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 4.7 m -110.74 104.2 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -155.28 78.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtt -129.49 169.17 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -43.96 128.68 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' CD2' ' A' ' 68' ' ' LEU . . . -128.51 168.63 15.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.11 2.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 10.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.443 ' C ' ' OG1' ' A' ' 145' ' ' THR . 5.5 m-20 168.76 53.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.443 ' OG1' ' C ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER 45.31 97.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 10.0 110.43 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 146' ' ' SER . 0.9 OUTLIER 176.78 35.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.548 ' CD1' ' CD1' ' A' ' 155' ' ' ILE . 0.3 OUTLIER -39.41 -72.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -40.73 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.44 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.41 3.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 10.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.452 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 4.4 t -82.91 -152.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 10.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -147.0 17.91 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 10.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -138.44 -92.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.578 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.9 t-20 70.26 2.31 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.548 ' CD1' ' CD1' ' A' ' 147' ' ' LEU . 0.9 OUTLIER -131.84 -56.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.488 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER -103.38 70.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 190' ' ' LEU . 4.2 m-20 -84.17 139.6 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -25.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 10.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -104.99 -61.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 60' ' ' ILE . . . -178.59 -75.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.475 ' CB ' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -153.97 -178.65 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 10.0 110.011 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . . . -147.69 97.95 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 10.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.709 ' CD1' ' CD1' ' A' ' 165' ' ' ILE . 5.2 p90 -112.45 175.99 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.612 ' CG2' ' CE1' ' A' ' 166' ' ' HIS . 1.2 mp -152.54 117.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.709 ' CD1' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mp -125.38 78.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 10.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 164' ' ' ILE . 4.1 m-70 -77.32 175.44 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 10.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 181' ' ' GLY . 11.7 pt-20 -63.91 66.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 4.5 mt-30 -83.64 177.65 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 168' ' ' GLN . . . -36.46 151.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 10.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 174' ' ' THR . 0.2 OUTLIER 56.37 175.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 35.8 t70 178.56 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.515 ' CD1' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER 73.87 -60.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 10.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -78.44 0.59 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.448 ' CB ' ' HA ' ' A' ' 170' ' ' ASP . 9.1 t -54.65 137.95 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 10.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.5 m-20 161.62 -51.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 10.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.32 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 120.25 83.93 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.443 1.089 . . . . 10.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.0 t30 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.6 m 87.59 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 10.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 56.19 86.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . -26.9 148.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 10.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.471 ' O ' ' CG2' ' A' ' 184' ' ' ILE . 0.1 OUTLIER -55.91 127.88 32.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER -154.87 -32.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.514 ' CG1' ' CB ' ' A' ' 47' ' ' LEU . 72.3 t -81.24 82.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.459 ' HA ' ' CE1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -155.79 116.18 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -96.05 -53.14 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 10.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.407 ' HA ' ' HB1' ' A' ' 162' ' ' ALA . . . 46.91 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 10.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.66 73.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -81.63 5.61 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 123.95 -115.87 2.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.464 1.102 . . . . 10.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 163.83 142.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.74 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -125.54 93.99 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -166.12 83.06 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 10.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -139.22 -61.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -105.69 172.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 10.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -51.34 173.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 10.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.9 t -81.71 177.27 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 10.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.484 ' CB ' ' CD2' ' A' ' 43' ' ' HIS . 48.5 t -50.07 178.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.76 -67.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -173.84 128.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 10.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.4 95.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' CD2' ' CB ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -159.59 149.12 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 10.0 109.562 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.67 68.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' CG1' ' A' ' 58' ' ' ILE . 56.0 t -142.0 121.93 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.46 121.9 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 10.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.61 100.05 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HA ' ' CB ' ' A' ' 54' ' ' ALA . 3.0 p -121.92 119.5 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' ARG . 69.9 m-80 -83.81 146.11 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASN . 16.3 tpt180 -34.22 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.78 -46.0 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 10.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -38.89 -47.44 2.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 10.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 79.28 3.04 2.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 10.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' LYS . . . 88.41 124.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 76' ' ' SER . 32.9 m -140.27 12.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.83 -160.64 10.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.111 . . . . 10.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.471 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER 174.32 166.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 10.0 111.03 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.541 ' CG1' ' HB ' ' A' ' 45' ' ' VAL . 4.8 mm -99.8 136.39 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -152.08 74.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 72' ' ' ILE . 1.6 pt -83.72 147.22 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -152.21 101.73 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 10.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -26.32 128.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 10.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 23.6 p -111.72 -173.89 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -151.9 74.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 10.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' GLY . 45.1 mt-10 -120.9 -172.08 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -30.98 -63.25 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 10.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 145' ' ' THR . 0.2 OUTLIER -149.46 136.96 20.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 10.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -132.69 50.66 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 10.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -84.93 178.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -122.1 75.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.635 ' CG2' ' CE1' ' A' ' 163' ' ' PHE . 36.4 mm -98.09 81.69 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 92.49 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 10.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' CB ' ' HG ' ' A' ' 47' ' ' LEU . . . -106.94 74.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.608 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.2 m-80 -157.26 -159.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.9 t 95.51 55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -97.3 -79.1 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 160.6 -56.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 163.83 34.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.3 50.42 3.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 10.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . . . -77.05 171.76 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 10.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.515 ' OG ' ' CB ' ' A' ' 169' ' ' ALA . 40.0 m -106.41 126.68 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 10.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -117.71 73.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -20.45 129.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 10.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CD2' ' HB2' ' A' ' 86' ' ' HIS . 4.0 t80 -116.31 164.16 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 10.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 1.2 t-160 57.47 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 10.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.7 pt -59.27 -174.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 10.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -143.09 61.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 10.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 70.56 -58.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 179.43 7.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 161' ' ' SER . . . -121.93 -55.08 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 10.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.5 p -85.05 146.36 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 10.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.95 65.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 10.0 108.331 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -52.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -150.06 144.05 17.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 10.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 10.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.5 t0 175.49 -70.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -174.06 -64.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.83 119.9 28.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.32 -174.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.51 99.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 10.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 145.39 16.68 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 10.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.73 -122.97 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 10.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.77 33.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -160.88 171.72 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.77 107.12 0.68 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 10.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.758 . . . . 10.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -44.21 -90.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 10.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -154.96 -51.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -178.36 107.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.39 -55.66 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 10.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 44.5 p-80 42.95 77.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 10.0 109.614 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.9 -73.67 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 10.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 173.02 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 10.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.4 t30 175.48 53.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 10.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.12 168.34 0.36 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.59 14.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 10.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 38.4 mtt -82.51 -29.78 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 144.43 176.06 18.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.6 ' NE2' ' CE1' ' A' ' 121' ' ' HIS . 75.9 t60 -158.3 145.29 17.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 10.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.6 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 64.67 175.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.644 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.66 -64.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.01 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.39 132.45 50.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.05 133.47 35.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 165.61 30.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.792 . . . . 10.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -122.91 59.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.529 ' CD1' ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -170.82 59.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.9 pt-20 -90.82 57.32 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 79' ' ' PRO . 1.6 t 37.53 -146.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.54 -60.67 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 10.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.551 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -53.92 -43.38 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 10.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 152.05 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 94.17 42.72 3.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 10.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -123.5 81.46 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 10.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 1.5 t -113.66 87.8 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 10.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.58 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 0.1 OUTLIER -118.97 178.73 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 5.7 m 53.43 167.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 10.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.2 OUTLIER -130.81 127.06 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 1.8 mmt -86.59 107.16 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' MET . 34.5 t30 79.29 137.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.24 132.53 14.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -44.07 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -177.05 57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.487 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 45.1 p -115.92 60.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 149' ' ' LYS . 6.3 p -79.62 124.51 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 10.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 17.35 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.92 69.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 146' ' ' SER . 6.0 tttm -120.24 -68.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -94.16 -29.26 9.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 10.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.06 -76.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 10.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.8 -173.57 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER -41.92 -35.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 6.6 t-20 83.5 -5.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.4 pt -116.58 44.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.23 103.02 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -84.56 89.1 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 72.61 -62.02 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 10.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.3 -45.17 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 10.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -179.66 -123.37 0.83 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 10.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.467 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . 13.1 p 171.43 152.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.969 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.41 176.15 12.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 10.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.635 ' CE1' ' CG2' ' A' ' 72' ' ' ILE . 24.6 m-85 -87.26 116.02 25.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 10.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 186' ' ' CYS . 3.4 mp -82.91 112.49 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.505 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.2 mp -109.92 147.88 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.686 ' O ' ' C ' ' A' ' 167' ' ' GLU . 0.3 OUTLIER -119.56 112.78 19.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 10.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 166' ' ' HIS . 68.8 mt-10 5.59 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 166' ' ' HIS . 7.2 pt20 -163.91 176.69 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.515 ' CB ' ' OG ' ' A' ' 82' ' ' SER . . . -73.21 -23.54 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.42 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -79.59 104.59 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 53.95 -85.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 10.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -158.93 62.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 10.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 175' ' ' ASN . 1.2 t -65.9 176.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.58 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER -67.09 -177.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.03 112.05 3.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 10.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.8 t 89.33 30.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -83.97 -125.51 1.2 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 10.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -88.72 65.94 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 10.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 82.8 p -138.17 47.71 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 10.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 119.82 12.68 6.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 10.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 166' ' ' HIS . . . -78.36 111.0 13.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 10.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.4 88.43 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.496 ' CG1' ' CG ' ' A' ' 167' ' ' GLU . 2.6 pp -123.19 -34.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 165' ' ' ILE . 2.6 p -84.69 56.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.75 129.21 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 108.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.498 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -83.75 -54.32 3.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 10.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 187' ' ' GLY . . . 60.63 145.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 10.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 10.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 53.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 49.28 -169.48 0.15 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 10.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -165.16 123.96 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 10.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -179.17 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 132.27 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 10.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.82 100.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 10.0 110.241 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.38 157.53 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 10.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -134.64 171.97 13.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 10.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' A' ' 39' ' ' SER . 9.2 t -174.68 161.53 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 10.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.403 ' N ' ' HG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER 75.19 -177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 110.061 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.25 82.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 10.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.48 99.22 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 10.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 140.45 175.26 14.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 10.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 153' ' ' LEU . 4.7 p80 -57.71 -157.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.645 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 1.8 t-160 162.77 113.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 10.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -85.12 82.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -27.61 104.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.529 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -98.79 78.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -92.13 141.15 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.502 ' OD1' ' CG1' ' A' ' 55' ' ' VAL . 2.2 m-80 -112.41 172.19 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' CB ' ' ND2' ' A' ' 175' ' ' ASN . 22.6 tpt85 -65.19 -25.47 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 10.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 18.9 mt-10 -147.54 -43.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -30.95 -37.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 92.7 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 10.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 76' ' ' SER . . . 166.86 130.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.544 ' CG1' ' HB2' ' A' ' 76' ' ' SER . 16.8 m -89.2 26.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 109.82 -123.76 6.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 10.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.15 159.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 10.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.5 mp -99.41 100.35 10.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' ND1' ' A' ' 71' ' ' HIS . 29.7 mt-10 -138.46 69.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 ' CB ' ' HA ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -89.13 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -143.55 118.23 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 10.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -30.6 136.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 10.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 37.1 m -98.74 -84.49 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER 157.96 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 10.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 5.7 t70 -84.72 -93.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 10.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 13.9 mt-10 -141.9 172.68 12.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . 35.76 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 10.0 111.041 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CB ' HD12 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -83.62 85.33 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 10.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.559 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 6.5 m-20 -159.96 52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 41.6 mm -84.03 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 174.18 56.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.582 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 69' ' ' ASP . 41.9 mm -106.57 58.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -91.57 88.99 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -100.36 75.55 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -124.48 146.65 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 30.3 t -106.92 52.54 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 76.31 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HA ' ' C ' ' A' ' 131' ' ' GLY . 14.7 ptt180 170.01 62.24 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 10.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.97 -5.99 17.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 10.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . 74.83 66.93 1.83 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.134 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' GLY . . . 167.95 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 10.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.451 ' OG ' ' CB ' ' A' ' 129' ' ' GLU . 16.3 m -81.23 150.38 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.441 ' C ' ' CG2' ' A' ' 165' ' ' ILE . 1.9 mm? -125.29 57.16 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 165' ' ' ILE . . . 51.89 172.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 10.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 1.7 t80 170.82 140.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 10.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 81.01 168.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 10.0 109.625 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mm -99.02 156.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -153.45 175.0 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 10.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -67.29 72.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' NZ ' ' SG ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -153.17 153.31 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.292 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.09 -105.37 1.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 10.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -90.38 160.12 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 10.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.44 ' SG ' ' NZ ' ' A' ' 90' ' ' LYS . 1.7 m -101.43 80.61 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -159.32 44.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 10.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -132.55 99.97 15.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 10.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.34 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 10.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.65 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -168.95 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.02 75.59 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 m 53.06 173.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.03 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.26 53.01 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 10.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 63.5 148.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 10.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.93 119.22 4.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.58 175.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 59.71 156.43 0.1 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.267 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 10.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 44.13 83.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 10.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 41.01 78.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -62.08 165.61 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 10.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER 67.2 160.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.62 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.476 ' N ' ' H ' ' A' ' 120' ' ' HIS . . . -136.64 -61.69 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 10.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.11 -78.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 10.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -174.65 73.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.452 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.3 m-20 -148.43 175.5 2.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.05 -23.34 13.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 10.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' GLY . 3.0 mmt -116.02 -47.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 121' ' ' HIS . . . 37.27 -137.88 0.57 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.476 ' H ' ' N ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.0 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 10.0 109.654 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 119' ' ' GLY . 0.0 OUTLIER -159.13 -176.1 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 10.0 109.574 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.52 7.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.94 -35.33 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 10.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -147.03 173.24 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.07 92.1 49.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 10.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.582 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.01 163.34 35.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -94.08 59.08 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.426 ' HA ' ' OD2' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -165.1 98.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.515 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 5.0 pt-20 -148.47 56.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 10.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.64 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.6 OUTLIER -155.83 -162.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.64 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -49.73 -101.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 10.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -93.13 42.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.733 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -70.6 -6.7 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.485 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . . . -96.46 7.28 66.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 10.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.413 ' HG2' ' ND2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -81.39 60.67 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 10.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.33 140.11 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.53 64.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.526 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 2.6 t -159.16 161.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 10.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 69' ' ' ASP . 2.5 mm -138.82 157.41 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.01 111.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.02 86.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.55 168.72 12.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.544 1.813 . . . . 10.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 t0 175.6 62.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.4 p -87.48 12.95 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.7 m -44.39 120.47 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -88.86 14.09 11.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 10.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 101.66 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.55 -105.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -111.71 -15.14 10.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -148.23 114.08 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 10.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 151' ' ' SER . 0.0 OUTLIER 35.45 -119.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.694 ' CD2' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -62.47 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 7.6 t30 158.1 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 3.1 pt -51.93 -21.42 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.483 ' CG ' HD12 ' A' ' 153' ' ' LEU . 2.1 mm? -85.31 94.49 8.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -98.76 149.89 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 50.89 -97.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 189' ' ' LEU . 0.3 OUTLIER -84.78 -30.95 24.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 10.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . 114.33 -117.75 4.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 10.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 156' ' ' LEU . 88.1 p -178.67 166.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 10.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -132.7 167.06 20.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.534 ' CZ ' HG12 ' A' ' 58' ' ' ILE . 7.0 m-85 -85.67 174.68 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.501 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 38.4 mm -127.93 100.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 10.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 84' ' ' GLY . 1.2 mp -117.01 103.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.501 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 25.0 p80 179.77 179.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 10.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.2 OUTLIER 76.8 -0.45 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.401 ' HG2' ' C ' ' A' ' 167' ' ' GLU . 13.1 mm100 -142.78 171.45 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 65.73 114.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 10.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 171' ' ' ASP . 4.6 m-20 -134.75 83.11 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 170' ' ' ASP . 4.9 t70 -39.33 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -176.28 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.9 mt -147.67 42.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 9.2 t -108.87 163.04 13.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.529 ' ND2' ' CB ' ' A' ' 50' ' ' ARG . 2.0 m-80 63.61 172.45 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.0 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 10.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.0 OUTLIER 85.51 39.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 181' ' ' GLY . . . 80.99 128.36 0.85 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 10.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.462 ' HA ' ' ND2' ' A' ' 175' ' ' ASN . 36.7 t-20 -39.76 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 10.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 178' ' ' GLY . 1.4 p -88.98 41.76 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 178' ' ' GLY . . . -98.56 12.13 63.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.509 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 75.11 137.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 10.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' A' ' 166' ' ' HIS . 3.6 mtp-105 50.94 77.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 1.2 mp -132.06 -79.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 10.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.529 ' N ' ' CG2' ' A' ' 184' ' ' ILE . 59.8 t -84.34 129.21 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.64 136.38 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -47.31 -51.49 15.24 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 10.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 189' ' ' LEU . . . 74.16 73.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 188' ' ' ALA . 5.3 mt 61.63 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 1.7 pp -49.41 178.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' HIS . . . -36.52 -70.42 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 10.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -153.99 -85.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 10.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -153.89 154.14 33.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 10.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 57.64 179.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.61 127.95 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HA2' ' A' ' 56' ' ' GLY . 17.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.75 100.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.67 126.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 10.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' SER . 9.9 t -43.03 157.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER 81.38 114.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 10.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.72 80.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.13 99.73 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.39 179.28 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 10.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -174.33 85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 10.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -80.22 54.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 109.581 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 HG11 ' CD2' ' A' ' 47' ' ' LEU . 13.4 t -156.79 71.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.88 92.49 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 10.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 185' ' ' VAL . 12.9 mt -96.94 82.51 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.5 p -109.82 123.45 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -106.91 165.67 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -1.56 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.42 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 10.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -128.97 -42.77 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 10.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 8.7 tttt 175.42 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 10.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 53' ' ' LYS . . . -122.23 112.28 17.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.567 ' CB ' ' HG ' ' A' ' 77' ' ' LEU . 18.6 m -83.75 -16.75 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . -168.68 -148.07 5.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 10.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER 162.5 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 10.0 111.036 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 HG12 ' CG1' ' A' ' 45' ' ' VAL . 27.9 mm -107.69 120.35 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -139.5 88.96 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 110.315 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 156' ' ' LEU . 2.3 pp -85.2 144.03 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.686 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -145.29 63.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -4.52 108.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 41.2 t -35.69 -40.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 10.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.58 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -54.81 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -87.2 -159.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 10.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 142' ' ' ALA . . . -122.08 -4.82 9.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -147.15 105.38 3.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 10.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -159.74 27.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 1.8 pp -106.98 176.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' N ' HD12 ' A' ' 70' ' ' ILE . 28.8 m170 -135.09 103.49 5.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 10.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.5 pp -120.22 59.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 10.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 1.3 p -126.61 132.63 51.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.524 ' CB ' ' CD1' ' A' ' 47' ' ' LEU . . . -123.8 54.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -157.85 153.65 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.7 t 145.07 56.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HG ' ' CB ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -90.04 -90.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 mtt180 156.32 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 10.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 29.66 83.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 10.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -121.17 167.26 12.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.57 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 63.9 m -105.97 136.54 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.567 ' CD1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.97 100.46 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -47.68 168.21 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.466 ' CD2' ' CD1' ' A' ' 128' ' ' LEU . 2.6 t80 169.01 124.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 10.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 168.31 121.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 109.641 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD11 ' CE1' ' A' ' 163' ' ' PHE . 3.4 mm -66.55 81.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -155.28 86.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 2.2 mt-10 -176.23 -173.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.87 126.63 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.14 143.12 0.57 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 10.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.9 p -94.79 176.03 6.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 10.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.03 155.27 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 10.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 95' ' ' ARG . 54.4 t -147.45 -48.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 tpt85 171.13 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 10.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.05 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 10.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.36 -70.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 10.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.9 t80 56.08 93.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.63 158.05 34.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.99 -47.69 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 10.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.02 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 10.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.39 133.44 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.62 109.42 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 10.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.536 ' CG ' ' HA3' ' A' ' 123' ' ' GLY . 1.6 p90 -51.62 174.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.7 OUTLIER 164.93 -52.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 10.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.2 Cg_endo -75.03 59.95 5.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 10.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -40.65 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 174.73 -72.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -172.2 -49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 60.3 mt-10 -86.46 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 10.0 110.278 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.473 ' CB ' HD23 ' A' ' 108' ' ' LEU . 26.8 m170 -41.21 117.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.599 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . -175.75 -176.79 44.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 10.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.1 t80 -68.24 100.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 10.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 4.2 t-20 83.55 101.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -166.07 175.86 2.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 10.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -75.0 -47.76 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 10.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 95.06 174.32 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 113' ' ' GLY . 5.8 p80 -120.64 124.44 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 10.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' GLY . 10.9 m80 -96.38 90.46 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.617 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 63.5 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 10.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 105' ' ' PHE . . . -170.67 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.575 1.172 . . . . 10.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.6 132.73 5.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 10.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -148.51 153.17 39.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 10.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.21 20.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 10.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 6.3 m-20 -120.34 171.31 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.472 ' HB3' ' CA ' ' A' ' 134' ' ' GLY . 3.5 mt 81.33 100.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.57 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -155.24 74.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 10.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.3 OUTLIER 168.82 107.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 10.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 29.88 -143.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 10.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.48 ' CB ' ' HG2' ' A' ' 135' ' ' LYS . . . -70.44 -6.22 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 10.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CB ' HG23 ' A' ' 130' ' ' VAL . 0.5 OUTLIER -63.48 -9.21 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 10.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . -120.47 2.05 12.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 10.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.2 OUTLIER -81.04 79.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 10.0 109.366 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.478 ' N ' ' HB2' ' A' ' 73' ' ' SER . 2.2 t -99.06 87.03 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 10.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.511 ' O ' ' CG1' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -117.56 68.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 137' ' ' ASP . 29.3 m -158.29 143.21 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 70' ' ' ILE . 10.9 mm -113.83 160.25 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 10.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 22.6 mtt -155.35 127.42 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.3 OUTLIER 80.95 73.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 109.269 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . . . -154.9 149.12 19.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -38.64 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -172.51 64.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.466 ' CG2' HG23 ' A' ' 70' ' ' ILE . 1.5 p 39.82 53.86 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 10.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.657 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -125.9 -8.07 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 10.0 109.975 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER 17.28 61.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -56.39 125.29 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -128.47 -74.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.09 -61.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 10.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 10.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 -85.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 10.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 146' ' ' SER . 0.2 OUTLIER -115.53 -42.61 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 154' ' ' ASN . 7.5 t30 71.23 6.5 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 10.0 109.268 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -114.15 -53.36 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -129.89 65.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.523 ' CA ' HD12 ' A' ' 153' ' ' LEU . 1.6 t0 -112.21 144.71 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 189' ' ' LEU . 1.5 tt0 -39.1 -59.6 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.37 46.11 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 10.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -119.46 -8.28 9.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 10.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 190' ' ' LEU . 1.5 m -96.32 142.45 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.61 138.56 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 33.2 m-85 -155.81 84.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 10.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.556 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 8.6 mm -83.8 117.66 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 10.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.1 mp -127.66 111.81 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.556 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 16.8 p80 178.81 177.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.444 ' CA ' ' HA3' ' A' ' 181' ' ' GLY . 0.5 OUTLIER 76.99 -1.98 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 10.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.463 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 32.5 mt-30 -145.21 162.57 36.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 10.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 166.67 174.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.56 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.469 ' HB2' ' CD2' ' A' ' 173' ' ' LEU . 1.8 m-20 -147.93 -175.56 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -89.01 56.59 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 10.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 174' ' ' THR . 0.0 OUTLIER -148.12 -73.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 173' ' ' LEU . 9.7 t 32.1 77.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.1 m-20 163.81 -52.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 10.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.97 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 10.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 41.2 t -133.26 -53.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 44.87 91.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 10.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.4 t-20 -51.66 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.9 t 94.21 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 10.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.444 ' HA3' ' CA ' ' A' ' 167' ' ' GLU . . . 154.28 -121.22 1.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 10.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 59.78 146.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 10.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.412 ' C ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -41.63 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 185' ' ' VAL . 1.2 mp -124.25 -68.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 47' ' ' LEU . 73.3 t -86.1 137.38 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.245 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.1 140.46 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 108.277 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -148.77 143.59 11.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' HIS . . . -176.91 177.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER 73.33 80.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.477 ' N ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER 36.79 -154.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.286 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -135.51 -49.82 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.464 1.102 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -63.5 139.98 58.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -79.23 93.23 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 37.98 71.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 10.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.3 tttt 48.89 -169.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.82 57.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 172.18 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 10.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.1 p -113.52 82.07 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 10.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.56 161.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.48 -74.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 96.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 10.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 125.55 159.19 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.521 1.138 . . . . 10.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -58.17 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 10.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -167.06 155.95 10.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 10.0 109.652 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 3.8 t -85.41 75.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -36.77 108.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HA ' ' CG1' ' A' ' 185' ' ' VAL . 0.0 OUTLIER -84.65 88.98 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 10.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 184' ' ' ILE . 97.7 t -108.81 105.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.6 p30 -98.6 -170.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.7 tpt85 -28.76 -89.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.3 mt-10 -105.62 -31.6 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -29.41 -40.74 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' GLU . 16.0 tttm 72.49 -52.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 10.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -151.07 128.73 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.582 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 1.5 m -113.48 12.68 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' CD1' ' A' ' 47' ' ' LEU . . . 137.15 -129.62 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.107 . . . . 10.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.1 p90 177.79 162.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 10.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 71' ' ' HIS . 1.6 mp -124.29 97.65 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 pt-20 -122.66 129.04 51.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.627 HG21 ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.2 146.69 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -149.49 107.25 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -37.72 120.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -96.55 -113.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 170.6 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.84 -69.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -134.74 -166.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.09 -91.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 10.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' OG1' ' A' ' 145' ' ' THR . 1.7 pt? -127.45 148.69 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 10.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.6 m-20 -135.03 11.21 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 69' ' ' ASP . 2.1 mm -139.52 163.59 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 10.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.869 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 76.86 46.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.563 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.579 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -162.17 56.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.15 177.5 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 10.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 134' ' ' GLY . . . -145.98 172.55 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.89 -11.13 31.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 10.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.576 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER 71.65 86.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 10.0 110.024 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' ' CG1' ' A' ' 55' ' ' VAL . 1.1 mt -34.52 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 157.97 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 10.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 56.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 10.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 26.88 45.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 10.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -63.83 150.05 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 10.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 47.7 m -96.55 107.39 19.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -108.85 112.46 24.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.46 137.24 9.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.722 ' CG ' ' CE2' ' A' ' 163' ' ' PHE . 6.7 p90 -133.37 157.97 44.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 10.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -176.88 137.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 10.0 109.626 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -46.28 110.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -150.75 143.54 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 10.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.47 143.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 10.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 5.0 pttt -106.99 92.97 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 10.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.04 166.25 11.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.417 ' CB ' ' CB ' ' A' ' 188' ' ' ALA . 37.5 p -86.08 147.6 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 10.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.47 99.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 108.322 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.6 m -144.37 69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 64.86 88.8 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.01 -38.32 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER 79.55 -70.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER 167.1 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 111.03 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.88 -67.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t 55.59 99.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 109.995 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.58 83.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.24 -140.74 6.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 10.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.7 150.31 22.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -74.98 -87.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 10.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.7 -169.98 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 10.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -133.57 89.84 30.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 10.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.31 41.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 10.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -72.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -159.74 -67.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 112' ' ' HIS . 1.6 mttp -97.19 -81.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.07 -60.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 10.0 110.273 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 110' ' ' LYS . 34.8 m170 -40.31 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 10.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.59 124.75 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 10.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -38.86 -46.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 10.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -149.47 78.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.98 172.33 5.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 10.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.25 -33.14 61.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.9 167.01 5.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 10.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.4 ' CD2' ' H ' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -109.47 113.13 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 10.0 109.59 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 1.4 p80 -124.7 -69.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.606 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 121' ' ' HIS . . . 81.3 -53.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 10.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.89 -40.42 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 10.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -174.12 143.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 10.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.37 3.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.02 25.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -84.11 62.84 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 10.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.57 70.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.3 OUTLIER -119.7 59.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 10.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 36.73 -150.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.71 -54.35 2.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 10.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -89.41 21.52 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 10.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.576 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 61.49 42.05 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 10.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 39.23 25.92 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 10.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 133' ' ' ASP . 9.9 mtpt -90.2 59.34 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.585 ' CG1' ' O ' ' A' ' 136' ' ' VAL . 12.7 t -113.01 58.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.601 ' O ' ' CG2' ' A' ' 138' ' ' VAL . 20.9 p-10 -77.44 177.85 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.601 ' CG2' ' O ' ' A' ' 137' ' ' ASP . 4.6 m 55.0 163.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.482 ' CD1' HG12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -129.73 -169.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 10.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 3.3 mtt -119.86 94.96 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.6 t30 62.33 146.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.48 143.47 44.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 10.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 10.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.54 47.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 10.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.498 ' OG1' ' CD2' ' A' ' 68' ' ' LEU . 68.5 p -103.81 65.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -79.38 119.4 22.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.021 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.44 HD13 ' CB ' ' A' ' 68' ' ' LEU . 4.1 mt -75.18 -21.62 58.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 10.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.56 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 10.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -126.05 -46.92 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 10.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.45 -50.41 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 10.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -113.43 46.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 10.0 109.97 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' SER . 0.0 OUTLIER 37.99 -154.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 3.9 pp -88.57 61.02 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -90.89 37.52 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 10.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.418 ' CD1' ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.68 -34.38 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.445 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.5 mt -85.53 -142.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -176.3 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.36 12.35 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 156' ' ' LEU . . . 81.62 -97.94 1.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -159.09 172.06 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 0.79 . . . . 10.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.4 113.93 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.722 ' CE2' ' CG ' ' A' ' 85' ' ' PHE . 5.0 m-85 -85.77 99.84 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.6 pt -96.07 101.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.498 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 3.2 mp -97.28 114.77 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.568 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 3.3 p80 -176.88 173.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.38 10.08 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 166' ' ' HIS . 9.7 mm-40 -88.85 174.61 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 170' ' ' ASP . . . -85.92 166.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 10.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . 31.0 m-20 53.83 171.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 10.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER 169.16 -47.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.02 -50.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 10.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 174' ' ' THR . 0.9 OUTLIER -165.48 -64.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 10.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 175' ' ' ASN . 0.6 OUTLIER 176.97 176.94 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 174' ' ' THR . 6.7 m-20 153.66 162.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.257 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 10.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.38 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 180' ' ' SER . . . 70.67 125.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 10.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -69.87 58.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 10.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.444 ' CB ' ' OD1' ' A' ' 171' ' ' ASP . 34.0 t -160.83 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -111.49 51.06 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.541 1.151 . . . . 10.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 178.95 143.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 10.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.568 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -59.05 124.22 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.554 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -141.46 -42.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.554 ' N ' HG12 ' A' ' 184' ' ' ILE . 9.1 t -85.6 112.23 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.97 131.47 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -135.57 -43.05 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 162' ' ' ALA . . . 58.27 166.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 10.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 30.2 mt 56.56 85.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 10.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 192' ' ' ASN . 0.2 OUTLIER -66.55 -173.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -50.3 91.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 10.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 190' ' ' LEU . 10.8 t30 -147.36 138.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -154.84 136.64 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 10.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.86 123.56 50.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -169.6 149.18 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 10.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 110.255 179.928 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.6 54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.44 154.97 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 p -139.19 -47.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.5 m 63.01 171.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 10.0 110.042 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -138.47 -65.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -176.75 -178.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.73 138.94 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 10.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -67.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 10.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 10.0 109.562 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -123.72 58.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -84.86 145.39 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -119.48 101.16 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.426 ' N ' HG22 ' A' ' 185' ' ' VAL . 2.8 t -129.46 106.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' OD1' ' CG1' ' A' ' 185' ' ' VAL . 2.3 m-80 -87.95 152.38 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.12 -55.17 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' LYS . 75.5 mm-40 -95.63 -51.18 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 10.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -37.7 -29.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.108 . . . . 10.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' GLU . 19.2 tptt 71.36 -51.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 10.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . 176.67 121.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 4.5 m -90.46 21.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 111.27 -111.09 2.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 10.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER 170.66 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 10.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 9.2 mt -111.16 91.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 71' ' ' HIS . 52.6 mm-40 -95.52 128.39 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.55 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -110.96 174.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -167.63 72.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 10.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -11.46 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 t -67.1 -146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.68 38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.84 -84.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -156.36 158.28 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 142' ' ' ALA . . . 50.35 -164.67 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 10.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' A' ' 142' ' ' ALA . 0.1 OUTLIER -89.75 127.42 35.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -134.97 36.6 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' HA ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -84.5 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -115.48 80.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.594 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 58' ' ' ILE . 1.4 pp -106.52 125.29 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -156.05 110.68 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 10.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' GLY . . . -75.9 178.65 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 10.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' HB2' ' CA ' ' A' ' 56' ' ' GLY . 1.4 m-20 -95.9 -13.15 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.684 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.3 t 57.34 72.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 10.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.684 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.2 mt -11.29 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.567 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.86 -57.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 78.13 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.35 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 10.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' N ' HG11 ' A' ' 130' ' ' VAL . . . -82.85 148.54 27.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.546 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -102.24 94.96 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 10.0 109.99 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.22 96.78 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.66 126.65 7.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.699 ' CE2' ' CD1' ' A' ' 128' ' ' LEU . 38.4 p90 -170.92 85.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 10.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.412 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -178.74 63.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 10.0 109.603 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 2.5 pp -158.56 -173.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.2 p90 -147.47 59.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 10.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.67 104.21 14.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 126.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 10.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.448 ' C ' ' SG ' ' A' ' 93' ' ' CYS . 79.1 p -89.98 123.19 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 10.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 92' ' ' SER . 1.8 m 81.67 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.4 93.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.516 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -76.43 -50.67 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 10.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 10.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 1.7 p-10 172.22 157.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -127.73 -137.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.16 164.89 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 p -135.39 97.22 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.07 -111.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 10.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.67 177.88 52.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 157.54 43.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 10.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.25 156.11 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 10.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -154.36 149.17 19.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.39 31.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 10.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.28 46.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -126.89 -77.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 1.4 pttm -174.01 71.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 10.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 9.2 pt-20 44.57 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 110.262 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER 76.14 121.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.629 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.73 -16.49 56.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 10.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.551 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 p90 -150.9 -47.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 10.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 165.77 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.448 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.3 OUTLIER -142.06 175.8 2.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 10.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.4 Cg_endo -75.02 -64.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 10.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -88.87 -4.46 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 60.79 149.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 10.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 11.47 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 10.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 42.85 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.578 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.3 43.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.87 3.93 18.15 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 10.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.68 115.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 10.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.06 151.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 10.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.08 15.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.771 . . . . 10.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.99 59.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 10.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.699 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 1.5 mt -133.32 60.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 10.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 130' ' ' VAL . 10.2 mt-10 -84.94 69.08 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 131' ' ' GLY . 2.6 p 33.29 -147.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 61.18 45.36 96.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 10.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 89.37 -7.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 129' ' ' GLU . 1.3 m-20 -52.92 -39.97 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -71.42 -17.05 75.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 10.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.68 59.36 5.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.766 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 73' ' ' SER . 0.0 OUTLIER -105.22 176.78 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 138' ' ' VAL . 7.3 p-10 -163.75 110.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 10.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 137' ' ' ASP . 0.3 OUTLIER 48.23 177.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 10.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 139' ' ' ILE . 0.0 OUTLIER -146.68 177.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.1 OUTLIER -142.28 155.99 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 10.0 110.987 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 140' ' ' MET . 4.0 t30 43.71 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -152.88 118.41 2.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.68 14.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 10.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 145' ' ' THR . 6.8 m-20 -51.2 -47.83 62.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 144' ' ' ASP . 0.2 OUTLIER 29.32 51.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.571 ' HA ' ' CB ' ' A' ' 153' ' ' LEU . 1.8 p -85.2 44.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.14 -57.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.246 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' LYS . 1.4 tptt -36.42 107.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 150' ' ' GLY . 0.0 OUTLIER -48.12 109.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 10.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 149' ' ' LYS . . . 32.92 92.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.43 -44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 10.0 109.956 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -116.52 -34.12 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 10.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.627 ' O ' ' CD1' ' A' ' 153' ' ' LEU . 4.6 pp -76.21 54.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -80.2 7.72 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 10.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 146' ' ' SER . 0.7 OUTLIER -89.75 21.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 156' ' ' LEU . 3.9 pp -82.09 101.61 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 159' ' ' ASP . 0.4 OUTLIER -82.21 82.58 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.15 -61.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 10.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 9.7 t70 -83.58 -60.19 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 152.96 -105.31 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 10.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -92.08 161.73 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.61 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -142.92 108.81 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 15.0 m-85 -147.8 57.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.6 pt -86.03 143.44 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.459 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 2.6 mp -109.16 143.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 19.4 p80 176.96 178.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 109.6 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.6 OUTLIER 79.71 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 10.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 2.8 mm-40 -137.46 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 10.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -174.67 -80.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.419 ' HA ' ' CG2' ' A' ' 174' ' ' THR . 0.6 OUTLIER 65.18 115.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -135.24 -53.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -171.41 -47.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 10.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.39 65.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 170' ' ' ASP . 2.1 t -134.3 72.01 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 10.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.54 150.54 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.01 61.69 5.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 10.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.0 OUTLIER 160.45 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 10.0 109.951 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . 133.78 136.37 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 10.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 178' ' ' GLY . 14.2 t-20 -32.68 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 10.0 109.248 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 1.7 m 81.83 36.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 110.05 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -76.67 0.22 65.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 61.24 144.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.9 81.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 10.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 1.5 mp -122.24 -64.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.459 ' CG1' ' HB ' ' A' ' 165' ' ' ILE . 1.5 p -112.28 146.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 10.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.65 146.81 36.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 188' ' ' ALA . . . -173.7 118.61 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 10.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 163' ' ' PHE . . . 165.66 103.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 188' ' ' ALA . 3.4 mt -151.97 77.9 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.1 pp -45.32 150.58 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 133.2 115.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 10.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 193' ' ' ASN . 4.1 t30 -108.51 124.28 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 192' ' ' ASN . 1.0 OUTLIER 54.4 103.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.95 -65.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 10.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 2.7 tttp 74.03 172.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 110.3 179.978 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 p -167.65 52.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.47 -176.4 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 10.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.6 t -127.42 159.43 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.54 -175.65 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -105.19 -29.53 10.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 10.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 25.6 p90 42.93 -171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.57 -161.83 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 10.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -62.89 -177.43 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 10.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -90.71 75.13 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 10.0 109.599 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 58' ' ' ILE . 2.0 p -122.03 86.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -97.46 100.86 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.506 ' CD2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -82.98 84.45 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 10.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 54' ' ' ALA . 3.4 t -113.12 114.74 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.485 ' HB3' ' CG2' ' A' ' 184' ' ' ILE . 0.1 OUTLIER -84.21 148.2 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -81.24 7.37 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 10.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 179' ' ' ASN . 7.0 mm-40 -104.61 -67.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.77 -78.21 1.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 10.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -178.77 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 10.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . . . 177.5 163.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 77' ' ' LEU . 10.6 m -106.75 -15.69 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.568 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . 162.24 -130.1 2.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.612 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 161.12 166.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 10.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.566 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.9 mp -108.53 118.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' OE2' ' CD1' ' A' ' 57' ' ' PHE . 2.0 mt-10 -154.6 82.13 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 10.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.669 ' CD1' ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -156.65 -176.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.15 139.44 54.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.97 151.27 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.3 p -105.23 124.11 48.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.3 60.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -66.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.62 -174.99 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 46.93 -133.33 12.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.446 1.092 . . . . 10.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -137.52 -114.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.77 . . . . 10.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.574 ' HB3' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -81.25 -176.89 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.7 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 2.3 pp -117.24 50.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.7 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 162.2 62.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 109.608 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.564 ' CG2' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -110.1 55.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 p -103.19 175.81 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . 172.95 85.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.451 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 14.2 m-80 -157.25 -43.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 10.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -62.93 105.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 10.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.04 -69.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 10.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.624 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 163.19 -60.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 10.0 110.315 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.06 44.65 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 10.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.57 51.84 0.31 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 10.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -82.83 176.67 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 10.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.492 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 72.3 m -91.62 151.74 20.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 10.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' CD1' HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -131.54 155.05 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -159.25 72.87 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.125 . . . . 10.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -103.39 165.49 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 10.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER 161.59 126.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 10.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.38 108.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 174.19 15.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 10.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 41.81 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' GLY . 11.0 ptmt -84.29 169.82 14.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . -51.42 -173.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 10.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.415 ' CB ' HG21 ' A' ' 164' ' ' ILE . 5.3 t -146.21 136.05 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 10.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 m 78.22 84.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 10.0 108.288 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.41 -52.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -145.2 140.16 15.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 10.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.42 141.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 54.17 104.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -55.73 24.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -140.18 151.66 45.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.985 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.6 -77.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.5 -106.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 10.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.85 -173.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 10.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -173.32 145.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 10.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.07 109.35 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 130.99 13.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 10.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.24 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.7 t30 58.09 84.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 10.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.43 59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 50.64 -165.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 10.0 110.253 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.95 12.64 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 10.0 109.572 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.3 125.05 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 10.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.14 25.01 3.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' GLY . 2.8 m120 -138.9 18.3 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.703 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 63.7 t30 -65.96 -40.36 37.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 10.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -74.96 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.772 . . . . 10.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 ptm -65.55 -25.91 67.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 10.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ASN . . . 110.96 123.31 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.147 . . . . 10.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 119' ' ' GLY . 5.1 p-80 -37.49 108.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 10.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -29.0 9.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.621 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 61.74 -97.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 10.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.93 13.19 8.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.09 . . . . 10.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 t0 57.85 170.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 10.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.0 156.28 69.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 10.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.64 78.76 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.9 mt -136.42 123.23 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -142.33 138.36 31.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 81' ' ' ALA . 2.1 t -59.58 -145.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 10.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 132' ' ' ALA . . . 59.17 26.02 60.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' GLY . . . 90.06 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 10.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.495 ' CB ' ' HG3' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -46.53 -26.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 10.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -66.73 -29.02 74.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 10.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -83.53 74.63 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 10.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -114.03 110.75 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.7 p-10 -77.28 99.53 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.518 ' C ' ' CD1' ' A' ' 139' ' ' ILE . 4.2 m -80.8 100.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.518 ' CD1' ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -133.8 18.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 10.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.19 20.5 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -146.56 49.46 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.59 131.02 11.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.453 ' O ' ' OD1' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.97 -43.06 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 143' ' ' PRO . 0.1 OUTLIER 176.35 69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.436 ' OG1' HD21 ' A' ' 68' ' ' LEU . 43.6 p -85.39 69.41 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -72.27 96.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 109.998 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.413 ' C ' ' HG3' ' A' ' 148' ' ' LYS . 13.9 mt -44.57 -38.21 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 10.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.552 ' CE ' ' O ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -178.14 60.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -146.9 -80.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 146' ' ' SER . . . -37.73 -45.21 1.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 10.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.64 58.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 10.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 163.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 156' ' ' LEU . 2.9 pp -73.43 66.83 1.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 10.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -99.67 10.31 41.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -14.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.508 ' CD1' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.45 -168.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.41 82.41 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 68.67 -72.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 10.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -147.87 46.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.61 76.44 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.508 ' OG ' ' CD1' ' A' ' 156' ' ' LEU . 0.5 OUTLIER -119.98 5.95 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 10.0 110.009 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 189' ' ' LEU . . . -83.13 136.3 34.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 0.3 OUTLIER -116.73 92.15 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 10.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.425 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 0.1 OUTLIER -86.77 123.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.479 ' O ' ' CG1' ' A' ' 185' ' ' VAL . 4.9 mp -85.75 126.45 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -165.97 175.94 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 10.0 109.583 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 1.5 mt-10 84.13 -10.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 2.2 mt-30 -146.77 164.49 32.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 86.47 148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 179' ' ' ASN . 6.4 p-10 165.2 119.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 2.3 t0 177.46 -163.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 10.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.444 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.1 OUTLIER 69.77 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 172' ' ' TYR . 0.8 OUTLIER -166.27 75.51 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 10.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.484 ' CG2' ' HA2' ' A' ' 178' ' ' GLY . 0.1 OUTLIER -114.82 55.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 10.0 110.37 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 174' ' ' THR . 0.9 OUTLIER 54.11 170.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.5 3.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 10.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.35 -74.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 174' ' ' THR . . . 131.55 129.67 3.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 10.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.2 OUTLIER -67.43 -142.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.7 p 85.52 53.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 10.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 182' ' ' ALA . . . -179.2 127.15 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 78.91 154.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 10.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.46 116.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 49' ' ' ASN . 1.2 mp -113.1 -39.04 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 165' ' ' ILE . 1.4 p -129.69 133.6 64.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 146.34 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 108.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -114.19 -20.32 5.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.559 1.162 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 60.64 117.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 10.0 109.256 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 162' ' ' ALA . 3.3 pp -155.04 58.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.26 33.01 2.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 60.5 98.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.568 1.168 . . . . 10.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -148.98 106.25 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 10.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -173.0 126.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 10.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 56.43 176.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 110.283 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 165.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 10.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 10.0 110.315 -179.975 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 190' ' ' LEU . 7.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 61.8 t -93.07 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 36' ' ' VAL . 1.2 tt0 -98.91 47.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 10.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -80.82 -7.64 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 110.42 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m 50.19 64.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.93 25.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 10.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 14.6 m-85 47.85 22.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.78 -164.5 12.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.133 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 18.2 p80 41.22 86.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 10.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 40.0 t60 -117.78 160.59 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 HG22 ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -122.82 116.86 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.63 89.56 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 10.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 58' ' ' ILE . 3.2 mt -86.54 100.4 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.52 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 5.0 t -122.4 155.24 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.588 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 8.0 m-80 -112.02 -17.6 12.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 82.96 -7.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 179' ' ' ASN . 26.5 mt-10 -97.11 -74.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 10.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.49 -75.23 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.13 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 10.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.7 167.49 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.588 ' CG1' ' ND2' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -124.1 19.8 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -149.62 18.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 10.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -165.93 166.62 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 10.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -130.65 108.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 10.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' HG21 ' A' ' 60' ' ' ILE . 3.0 mm-40 -135.99 86.14 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.611 ' HB ' ' CB ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -135.09 144.36 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.67 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 175.19 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -150.78 158.13 43.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 10.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.5 -173.18 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -157.68 -103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.22 -35.67 7.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 67' ' ' GLY . 5.0 mm-40 -99.69 -170.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 10.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . -24.85 -99.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 10.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -159.41 139.55 11.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 10.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.17 59.35 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CB ' ' HB ' ' A' ' 60' ' ' ILE . 1.1 pp -79.93 152.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' H ' ' CG2' ' A' ' 60' ' ' ILE . 9.8 m170 -113.55 63.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 60' ' ' ILE . 1.3 mt -79.98 99.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 82.7 p -153.79 162.27 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 10.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.02 167.63 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 10.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -14.74 50.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 10.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 78' ' ' ARG . 3.4 t 45.84 56.56 5.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 10.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' CD1' ' ND2' ' A' ' 49' ' ' ASN . 7.2 mt 34.49 -91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 163.46 -55.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.04 109.21 2.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 10.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 30.84 65.97 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' ' OG ' ' A' ' 76' ' ' SER . . . -53.8 150.37 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 10.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 168' ' ' GLN . 3.1 m -145.77 59.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 10.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -109.21 116.2 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.19 117.43 5.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 10.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -98.73 138.48 35.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 10.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 6.4 p-80 167.89 123.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.522 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -84.72 106.35 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.9 m-85 -156.7 76.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 1.1 mt-10 179.69 -171.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -146.05 83.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 10.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 45.63 99.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 10.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.72 124.28 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.734 . . . . 10.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 134.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 10.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t 64.32 94.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 60.0 89.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 110.253 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.764 . . . . 10.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.9 OUTLIER 81.81 24.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 97' ' ' ASP . 0.3 OUTLIER 71.55 -58.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 10.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -39.75 125.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 10.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -159.93 157.98 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.53 90.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -156.59 -107.33 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 10.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.94 100.37 2.04 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.71 9.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 51.86 80.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 10.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.08 138.55 97.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' ASN . 18.4 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 60.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 10.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' PRO . 2.8 p30 -56.97 -46.91 81.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -179.8 116.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 116' ' ' ASN . 2.8 mt-10 70.09 -61.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 10.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.525 ' HA ' ' CG ' ' A' ' 120' ' ' HIS . 3.3 t60 69.01 92.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 10.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.58 146.25 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -92.98 8.53 39.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 10.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -151.86 55.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 10.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 111' ' ' GLU . 6.6 m120 -124.12 162.86 39.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 10.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -20.26 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 10.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 6.8 mmt -106.46 -7.55 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 10.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 46.87 -174.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 112' ' ' HIS . 3.4 p-80 -157.47 154.86 29.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 10.0 109.609 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.444 ' CG ' ' C ' ' A' ' 120' ' ' HIS . 8.7 m80 -154.73 173.66 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.7 -85.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -145.1 -45.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.88 157.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 10.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.418 ' CD1' ' OE1' ' A' ' 129' ' ' GLU . 0.6 OUTLIER -106.9 156.78 36.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 10.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 128' ' ' LEU . 3.6 m-20 -81.32 74.94 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 127' ' ' ASN . 9.6 mt -148.49 59.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.553 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -155.76 58.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 10.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.578 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 1.5 m -164.34 179.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.578 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -35.87 104.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 10.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . . . 40.43 32.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 10.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.442 ' HB2' ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -68.19 -14.09 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' H ' ' CB ' ' A' ' 76' ' ' SER . . . -88.22 2.79 85.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 10.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 56.88 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 72' ' ' ILE . 1.5 t -127.67 120.1 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.516 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -137.29 177.01 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.516 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 64.11 154.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.576 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -129.52 128.49 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 16.5 mtp -84.81 88.16 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 140' ' ' MET . 28.1 t30 82.86 95.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.431 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -82.8 134.36 47.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 10.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.06 -61.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.56 59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 10.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 2.6 p -95.44 59.91 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 10.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 62.8 p -78.29 109.05 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 9.0 mt -59.87 -29.27 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -163.3 119.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -78.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 10.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.61 -43.01 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 10.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.467 ' O ' ' CD ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -104.55 -37.92 6.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 0.78 . . . . 10.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -178.54 173.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.5 ' CD2' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -32.91 -58.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 11.0 t-20 76.79 16.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -115.56 -33.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.529 ' CD1' ' HA2' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -83.64 -152.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 159' ' ' ASP . 18.6 t70 -86.16 42.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.44 -61.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 10.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -83.17 -60.47 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.529 ' HA2' ' CD1' ' A' ' 156' ' ' LEU . . . 167.72 -162.8 36.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 10.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.51 ' CB ' HG12 ' A' ' 87' ' ' ILE . 2.5 t -164.25 -162.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 10.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -156.02 148.27 23.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 10.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.21 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.9 mt -87.57 116.37 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.8 mt -93.37 60.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 183' ' ' ARG . 15.1 p-80 -91.46 169.72 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 10.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 70.38 13.94 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 10.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.471 ' CG ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -82.32 176.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 110.259 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -171.99 -166.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 10.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.96 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 10.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -69.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.431 ' O ' ' CB ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER -178.36 55.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 172' ' ' TYR . 0.3 OUTLIER 82.4 87.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 1.3 t -67.13 126.76 30.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 10.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.5 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 163.83 -52.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 10.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.4 Cg_endo -74.95 8.74 2.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 3.3 p 93.68 41.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 179' ' ' ASN . . . -76.17 -82.52 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 178' ' ' GLY . 1.8 m-80 -171.51 121.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 168' ' ' GLN . 5.0 t -104.57 -65.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 10.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -168.64 -133.21 1.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.472 1.108 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.423 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 53.89 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 10.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.502 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 3.4 mtm105 -73.44 133.4 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.471 HD12 ' CG ' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -126.03 -97.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.52 ' CG1' ' HB ' ' A' ' 48' ' ' VAL . 2.4 t -101.44 147.41 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 187' ' ' GLY . 0.5 OUTLIER -137.5 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 108.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 188' ' ' ALA . . . -55.07 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.123 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 187' ' ' GLY . . . 151.68 83.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 192' ' ' ASN . 2.3 mt 67.94 132.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -136.13 43.53 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 156.94 66.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 10.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.423 ' HB2' ' CD2' ' A' ' 189' ' ' LEU . 0.8 OUTLIER 172.04 174.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.7 174.95 10.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.36 160.15 35.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.11 -179.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.16 137.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 10.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -157.52 169.26 25.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 p -151.7 164.59 36.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -164.52 171.82 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.42 -89.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 10.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -100.86 110.96 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 10.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.08 -164.94 39.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.099 . . . . 10.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 190' ' ' LEU . 3.6 m80 -69.82 -169.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 10.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -159.95 166.6 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -101.84 114.52 41.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 10.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CA ' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -74.88 91.74 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 4.5 mt -97.31 93.42 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.83 128.04 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -100.43 168.34 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -33.7 70.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.71 -69.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.85 -46.24 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 12.0 tttp 92.46 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 10.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 178.86 118.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 8.7 m -83.97 -9.59 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 10.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.18 -113.4 0.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 10.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 163.51 163.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 10.0 110.964 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 47' ' ' LEU . 3.9 mp -99.05 104.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -115.87 114.53 24.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CG2' HG22 ' A' ' 70' ' ' ILE . 15.9 mt -103.37 114.63 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -108.14 79.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . 1.6 mt-10 -36.19 154.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 110.335 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . 51.7 m -115.75 -81.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 10.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -65.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.22 -51.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 10.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 67' ' ' GLY . 18.2 pt-20 -83.82 -164.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -31.51 135.85 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 10.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.76 166.01 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -85.14 66.09 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 10.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.535 HG13 ' CD1' ' A' ' 139' ' ' ILE . 2.5 pp -81.47 127.12 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.14 71.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 10.0 109.606 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 1.2 pp -100.24 71.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.6 p -108.45 132.01 54.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . 163.94 126.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' HG21 ' A' ' 55' ' ' VAL . 8.0 m120 -152.76 -68.94 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.595 ' CB ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -168.2 79.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 78' ' ' ARG . 3.7 pp -83.79 114.53 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 10.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.517 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.68 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 10.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.707 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -149.21 42.32 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 10.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.707 ' CB ' ' O ' ' A' ' 80' ' ' GLY . . . 146.07 62.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.493 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 42.2 m -160.15 58.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -119.51 119.52 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 10.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.15 134.5 8.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -153.53 138.31 17.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 10.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' ILE . 59.4 t-80 -166.43 110.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 10.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' HIS . 8.3 mm -38.88 111.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 174.41 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -118.39 64.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.84 82.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.78 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 10.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -153.65 -60.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.753 . . . . 10.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.66 139.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 10.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.8 t 65.72 72.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 10.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 64.4 94.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 10.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t0 173.7 87.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 54.7 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.82 137.95 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.77 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.78 68.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 10.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.08 118.22 0.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 10.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.85 157.46 24.63 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 10.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -89.25 87.93 7.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 10.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 176.26 89.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -75.0 55.73 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 10.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.9 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.47 -82.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 -120.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 10.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 51.76 -175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 10.4 t-160 54.31 55.69 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.01 -104.2 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 0.4 OUTLIER -39.43 -51.82 2.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 0.755 . . . . 10.0 110.995 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 50.0 t30 83.64 92.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.518 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 1.5 t30 168.88 -53.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 10.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.99 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 10.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 28.44 43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . -124.15 -175.52 14.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 10.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 178.15 163.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -44.15 -61.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.616 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -175.02 36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.03 -27.33 9.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.4 169.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 10.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 113.9 54.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.8 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.476 1.777 . . . . 10.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 4.4 m120 61.4 167.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.536 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER 84.02 83.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 10.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.599 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 1.4 pt-20 -123.73 66.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 10.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.58 ' CG1' ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 163.42 125.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 76' ' ' SER . . . -42.44 -42.41 4.47 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 10.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 135' ' ' LYS . . . -55.83 -41.65 74.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 10.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 1.2 t70 -45.59 -31.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.64 -24.07 65.79 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 10.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' ALA . 2.5 mttt -86.28 56.61 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.47 126.24 74.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.536 ' C ' ' CG2' ' A' ' 138' ' ' VAL . 20.4 p-10 -174.09 -178.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.536 ' CG2' ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 67.44 137.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 10.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.535 ' CD1' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -138.77 168.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -134.71 103.14 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.1 t30 79.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.37 132.7 46.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.56 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 10.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.425 ' C ' ' OD2' ' A' ' 144' ' ' ASP . 31.8 t0 -179.98 74.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.84 61.23 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 10.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.527 ' HB2' ' CD2' ' A' ' 153' ' ' LEU . 0.7 OUTLIER 77.57 4.96 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 10.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -121.79 71.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 144' ' ' ASP . 0.0 OUTLIER -139.33 179.74 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.68 8.74 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.34 -64.59 0.28 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 -41.18 13.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 10.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.561 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.4 mttt 62.93 116.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.561 ' C ' ' O ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER 25.56 78.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -88.99 -11.91 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 10.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CD1' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -109.22 -23.31 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 155' ' ' ILE . 2.9 mm? -83.75 -125.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 5.0 t0 -112.78 145.24 40.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -22.05 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.66 -68.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 157' ' ' ASP . . . -144.87 -122.35 1.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -153.8 112.01 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 10.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 189' ' ' LEU . . . -109.37 104.73 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 161' ' ' SER . 10.3 m-85 -109.75 80.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.23 118.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.471 ' HB ' ' CG1' ' A' ' 185' ' ' VAL . 3.4 mp -88.71 139.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 1.5 p-80 -179.86 178.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 6.7 mt-10 85.72 -31.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 71.7 mt-30 -156.89 174.93 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 168' ' ' GLN . . . 87.02 -158.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 10.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 181' ' ' GLY . 0.0 OUTLIER 74.28 -66.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 10.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.5 t70 176.77 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.15 56.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 10.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mt -122.51 -5.18 8.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 175' ' ' ASN . 9.9 t 43.4 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 110.369 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.502 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 1.2 m-20 56.52 178.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 10.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.99 54.86 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.562 1.822 . . . . 10.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 177' ' ' SER . 9.6 t 171.85 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 10.0 110.03 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -170.08 114.46 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.625 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.7 OUTLIER -57.57 -68.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 10.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.0 t 96.05 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 170' ' ' ASP . . . 177.9 -130.33 1.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 10.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.43 166.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 111.77 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 10.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.502 HG12 ' N ' ' A' ' 185' ' ' VAL . 0.2 OUTLIER -132.33 -37.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 10.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.502 ' N ' HG12 ' A' ' 184' ' ' ILE . 1.0 OUTLIER -110.86 124.33 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.19 139.81 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 108.305 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.416 ' CA ' ' N ' ' A' ' 46' ' ' GLN . . . -105.68 -169.21 23.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 10.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 189' ' ' LEU . . . -126.19 77.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.499 ' HB3' ' CB ' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -35.25 149.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 10.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 190' ' ' LEU . 4.4 pp -81.65 111.28 17.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 10.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -74.7 -65.62 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 10.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.0 168.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.736 . . . . 10.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -171.7 91.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 10.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 65.03 88.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.38 130.61 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 10.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -79.62 170.74 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 10.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.32 -175.99 14.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 3.0 t-160 58.01 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 10.0 109.57 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 37.2 m80 -149.74 168.82 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 58' ' ' ILE . 4.3 m -90.06 104.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.519 ' HG2' HG12 ' A' ' 48' ' ' VAL . 1.2 pm0 -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 10.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -110.13 99.22 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 10.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.718 ' O ' HG21 ' A' ' 185' ' ' VAL . 1.5 p -129.6 153.18 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 10.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 165' ' ' ILE . 4.8 m120 -129.19 145.23 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.56 68.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -119.6 -40.48 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 10.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -44.35 -39.18 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 10.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 7.3 tptt 88.25 -13.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 10.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -55.46 145.37 22.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -155.63 27.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -73.26 -134.48 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 10.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 174.44 162.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 10.0 110.984 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.052 HG23 HG22 ' A' ' 72' ' ' ILE . 13.7 mm -86.51 84.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -86.6 93.38 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 10.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 70' ' ' ILE . 2.3 pt -96.51 129.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -128.57 72.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 10.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.7 pp20? -31.02 137.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -145.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 10.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.06 80.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.55 -79.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -155.09 155.86 34.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 10.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 45.82 -100.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 10.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -145.38 173.68 11.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 10.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.56 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -156.09 37.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -84.18 171.31 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 10.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 8.5 t-80 -121.43 63.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.052 HG22 HG23 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -85.83 92.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 10.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 p -155.04 124.15 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -82.66 172.92 12.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.642 ' HA ' HD11 ' A' ' 77' ' ' LEU . 24.7 p30 -155.56 -173.28 4.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.434 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 20.9 t 66.25 57.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 10.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.747 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.85 -152.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.73 -57.53 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.72 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.97 161.23 39.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 10.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 48.32 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 10.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 169' ' ' ALA . . . -97.28 172.51 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.988 ' O ' HD13 ' A' ' 83' ' ' LEU . 13.8 m -98.13 157.72 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -137.08 61.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 116.51 175.08 17.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 10.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 21.0 t80 -149.27 169.6 20.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.48 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 m170 -60.6 168.34 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.636 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . 1.3 pt -52.35 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.55 ' N ' ' HB3' ' A' ' 162' ' ' ALA . 6.6 m-85 -155.95 59.75 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 10.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.846 ' OE2' HD13 ' A' ' 164' ' ' ILE . 2.4 tt0 -165.56 151.43 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 10.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -100.54 105.83 17.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 10.0 109.259 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.731 ' H ' HD21 ' A' ' 190' ' ' LEU . . . 63.4 149.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 10.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 188' ' ' ALA . 0.3 OUTLIER -83.71 102.95 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.003 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.6 m 47.51 58.77 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 91' ' ' GLY . 4.8 p -150.09 21.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -157.14 120.54 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -88.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -170.93 102.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -167.43 -63.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.99 89.27 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 10.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m 52.96 92.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.04 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.21 -58.98 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.22 -104.3 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 10.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 38.09 -154.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.51 1.795 . . . . 10.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.23 149.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 10.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -119.49 147.79 44.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 10.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 147.27 33.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 10.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HG21 ' A' ' 136' ' ' VAL . 79.8 m-20 -82.83 63.3 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.2 pp -164.3 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -112.41 59.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 10.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 77' ' ' LEU . 3.7 t 51.55 176.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.666 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 113.44 -5.9 24.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -157.25 26.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 10.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.82 27.8 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 55.84 29.96 55.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 10.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 63.5 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.696 HG21 ' O ' ' A' ' 127' ' ' ASN . 0.9 OUTLIER -109.32 96.76 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 23.4 p30 -111.06 118.16 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -93.55 110.6 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -153.19 41.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 9.2 mtp -142.43 105.7 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.6 t30 65.31 119.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.665 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -139.23 156.45 72.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 10.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -165.57 68.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 10.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 155' ' ' ILE . 29.8 p -100.55 61.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 68' ' ' LEU . 4.5 pp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -132.61 94.55 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -85.82 31.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.674 HG21 ' HA ' ' A' ' 145' ' ' THR . 1.1 pt -103.17 48.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -83.54 96.67 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.61 99.6 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 10.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 74.62 -56.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 10.0 110.249 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.705 ' HA ' HD13 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -150.29 59.3 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 159' ' ' ASP . . . 2.41 -108.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 10.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.616 ' OG ' HD13 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.53 104.35 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 10.0 109.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . . . -100.31 139.59 35.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 10.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 161' ' ' SER . 33.8 m-85 -148.2 85.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 10.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.846 HD13 ' OE2' ' A' ' 89' ' ' GLU . 5.0 tp -86.92 124.82 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.658 HD13 HG12 ' A' ' 185' ' ' VAL . 1.6 mp -100.61 79.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -176.94 176.44 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 10.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.42 ' N ' ' ND1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 77.7 -4.76 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -137.78 152.35 49.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 10.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.781 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . . . 174.79 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 10.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 55.3 t0 63.12 34.67 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 171' ' ' ASP . 16.1 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 180' ' ' SER . 6.0 m-20 164.6 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.0 OUTLIER 88.13 20.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 10.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.549 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 146.98 102.75 0.31 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 10.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 173.01 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.764 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.7 ptt85 -65.78 129.83 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.984 HG12 HG23 ' A' ' 185' ' ' VAL . 0.3 OUTLIER -146.87 -43.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 184' ' ' ILE . 41.5 t -123.42 166.01 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 164' ' ' ILE . 8.6 p -156.12 179.34 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.526 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 177.7 36.61 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.57 1.169 . . . . 10.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . . . -92.99 97.27 10.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 10.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 189' ' ' LEU . 6.3 tt -106.43 76.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 10.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.731 HD21 ' H ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' O ' ' CD2' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 29.8 p90 44.21 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 111.047 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.64 -99.83 1.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -157.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 177.45 133.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 10.0 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.117 HG21 ' CE2' ' A' ' 163' ' ' PHE . 1.5 t -84.4 99.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 pt20 -72.54 95.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 10.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.766 ' HG ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.85 88.23 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 53' ' ' LYS . 7.2 p -117.63 126.88 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.93 ' ND2' HG21 ' A' ' 185' ' ' VAL . 0.3 OUTLIER -91.15 150.16 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -28.46 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.9 mt-10 -129.55 -52.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.686 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -37.53 -29.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 10.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.932 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.7 tttt 86.74 -41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 10.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 163.58 147.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 47' ' ' LEU . 2.8 m -86.82 -10.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 146.99 -95.14 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 10.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.501 ' H ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 167.43 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 10.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.672 HG12 HD11 ' A' ' 47' ' ' LEU . 10.1 mm -119.48 96.96 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 10.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 10.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -83.46 138.2 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.699 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -124.74 99.03 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.3 mp0 -34.88 127.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.461 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 22.8 t -113.83 -149.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -173.05 78.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.5 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 pt-20 -146.47 149.7 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.81 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . 36.07 -103.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 10.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.821 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -142.39 108.95 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 10.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 1.004 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.6 t70 -95.03 49.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.77 HD13 HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -91.78 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.29 102.21 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.77 HD12 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -138.31 117.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 10.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' A' ' 135' ' ' LYS . 66.6 m -157.13 85.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . -177.57 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -110.68 -10.65 14.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.738 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -130.39 120.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 10.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.766 HD11 ' ND2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -49.07 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.7 ttt180 152.97 -44.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -74.96 64.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.45 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 10.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.818 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -64.04 175.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 10.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 1.021 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.4 m -112.85 112.44 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 10.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.021 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -138.41 133.74 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 10.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.762 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -127.54 132.74 7.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 10.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 -125.93 157.09 38.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 10.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 169.8 121.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 10.0 109.616 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CD1' HD11 ' A' ' 155' ' ' ILE . 1.5 pt -78.14 73.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -154.66 67.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -178.27 -172.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 136.91 39.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.71 117.19 4.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 10.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.93 106.82 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 10.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.0 t -145.66 100.27 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 108.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 96' ' ' PRO . 5.4 p -147.38 151.04 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 1.7 mpt_? -36.67 -55.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 10.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.725 ' HD2' HG13 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -83.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 10.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 70.52 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.46 -30.23 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 10.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.34 172.4 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 10.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.81 168.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 47.19 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -117.55 -118.73 2.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.13 . . . . 10.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . 37.06 -98.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 10.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 10.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.12 125.14 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 10.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 125' ' ' LEU . 1.3 pp -145.02 73.27 14.71 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.5 35.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 10.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.34 70.7 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.68 59.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 10.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 130' ' ' VAL . 3.1 pt-20 -91.13 58.88 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.818 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 35.03 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 90.57 -14.81 61.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 10.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -142.68 15.65 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.26 40.23 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' OG ' ' A' ' 76' ' ' SER . . . 48.12 44.1 25.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 10.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 0.1 OUTLIER -82.76 79.61 9.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.2 t -113.05 100.66 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -94.32 90.37 6.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 10.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 1.044 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.3 m -74.08 104.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 1.044 HD13 ' O ' ' A' ' 138' ' ' VAL . 3.2 mm -138.12 10.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.7 mtm -156.45 158.34 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.4 OUTLIER 77.3 46.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.952 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -138.58 116.48 9.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 10.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.41 63.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.952 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 12.1 p -115.63 39.18 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.43 120.77 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.505 ' CD1' HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -56.01 -17.98 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.3 p-10 -80.08 54.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 152' ' ' LYS . 34.6 pt -84.5 -22.28 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 161' ' ' SER . 4.5 pp -111.15 -40.92 4.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 156' ' ' LEU . 7.1 t70 -135.89 148.02 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 10.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.28 -15.86 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 10.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.72 -36.99 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 149.61 -110.85 0.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 10.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 156' ' ' LEU . 68.6 m -138.73 175.1 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 1.117 ' CE2' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -146.55 74.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.944 HG23 ' HA ' ' A' ' 186' ' ' CYS . 3.3 mt -85.02 133.0 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.762 HG23 ' H ' ' A' ' 84' ' ' GLY . 1.2 mp -83.55 112.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.698 ' HA ' HD11 ' A' ' 184' ' ' ILE . 30.1 p-80 -158.47 176.02 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.75 9.39 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 10.0 110.255 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 7.9 mm-40 -96.39 175.45 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -116.28 96.54 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.99 141.2 47.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.1 p30 158.03 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 10.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 77.9 p -135.0 61.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 10.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 173.39 78.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 10.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.457 ' C ' HD13 ' A' ' 184' ' ' ILE . . . 58.84 156.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 66.77 75.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.698 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -135.14 -98.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 10.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.93 HG21 ' ND2' ' A' ' 49' ' ' ASN . 12.2 t -104.77 149.92 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 10.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.944 ' HA ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -116.65 178.21 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.87 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . 160.42 115.16 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 10.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.958 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -165.24 177.03 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 10.2 mt 63.23 80.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.495 HD23 ' HZ ' ' A' ' 163' ' ' PHE . 17.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 61' ' ' LYS . 7.1 m-85 -82.45 -45.92 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.67 82.34 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 10.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m80 50.08 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 10.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 179.07 122.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.646 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.2 OUTLIER -92.47 94.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -50.41 127.82 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 10.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 mt -93.6 96.13 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG23 ' C ' ' A' ' 53' ' ' LYS . 2.8 p -95.76 106.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.498 ' ND2' HD21 ' A' ' 77' ' ' LEU . 5.5 m-80 -82.62 169.39 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.8 11.08 8.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' HD23 ' A' ' 77' ' ' LEU . 22.7 mm-40 -85.26 15.68 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.69 -60.21 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 10.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.652 ' C ' HG23 ' A' ' 48' ' ' VAL . 18.9 tttm -162.34 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -147.62 141.84 26.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.879 HG11 ' HA ' ' A' ' 77' ' ' LEU . 13.2 m -122.69 -1.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -140.55 -153.72 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 10.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 175.54 168.93 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 10.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.84 HD11 HD11 ' A' ' 47' ' ' LEU . 48.8 mm -95.48 72.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.902 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.1 mt-10 -88.54 68.79 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.775 HG23 HG21 ' A' ' 70' ' ' ILE . 61.2 mt -85.22 121.19 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -124.31 94.43 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 51.4 mm-40 -34.07 128.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -98.96 -150.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -175.7 63.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.92 -72.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 40.8 mt-10 -155.4 151.19 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 10.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.97 -148.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 10.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -99.22 105.75 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.52 38.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.876 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -91.18 175.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.32 99.94 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 10.0 109.567 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.921 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.8 pp -131.16 116.51 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 10.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.683 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 15.2 m -113.12 170.66 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.059 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 163.44 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' C ' HD12 ' A' ' 77' ' ' LEU . 16.8 t30 -134.07 -29.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 10.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.541 ' C ' HG21 ' A' ' 55' ' ' VAL . 3.7 t -67.33 58.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.879 ' HA ' HG11 ' A' ' 55' ' ' VAL . 4.2 mp -77.81 -71.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.569 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.01 -58.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 10.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.715 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.05 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 10.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.83 38.98 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' ' H ' ' A' ' 169' ' ' ALA . . . -82.56 175.38 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 53.9 m -84.53 136.33 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.891 ' HA ' HG23 ' A' ' 165' ' ' ILE . 2.2 mm? -118.23 59.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HD23 ' A' ' 125' ' ' LEU . . . -33.44 149.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 10.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -136.78 122.3 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 10.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 30.4 t-80 86.88 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -139.25 -98.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 10.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' GLU . 68.1 t80 -154.79 173.77 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 88' ' ' TYR . 2.0 pt-20 -73.05 91.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 10.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.61 134.52 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.26 75.62 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.72 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 10.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER 72.54 -65.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 71.9 t -38.84 142.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 94' ' ' VAL . 13.7 tpt180 85.07 100.94 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 90.92 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 10.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' GLU . 1.2 m-20 67.78 -153.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 69.45 -59.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -45.65 160.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 10.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -108.05 117.15 33.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.91 -75.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.95 -109.55 0.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 10.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.98 -123.78 25.59 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 10.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.031 -0.827 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.98 162.72 26.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 167' ' ' GLU . 5.3 mp -135.28 62.56 51.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 10.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 0.9 OUTLIER 152.83 144.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.818 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER 45.43 74.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 10.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.0 pt-20 -98.71 58.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.715 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.5 t 39.51 -151.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.604 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 75.9 -54.14 2.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 10.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 135' ' ' LYS . . . -69.81 -34.61 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.9 OUTLIER 85.11 55.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 10.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 75' ' ' ASN . . . 94.54 74.05 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -112.08 55.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 10.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -149.48 90.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 10.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 15.0 p-10 -136.99 138.05 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.6 m 50.3 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.874 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.26 100.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -84.38 135.85 34.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' MET . 12.7 t30 82.04 84.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.11 154.8 71.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -167.6 46.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.626 ' HB ' HD22 ' A' ' 68' ' ' LEU . 1.1 p -64.19 88.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 1.2 m -112.75 65.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 110.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 68' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 10.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 153' ' ' LEU . 45.1 mttt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.64 -63.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 24.9 t-20 70.58 20.5 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -139.41 -43.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.839 ' HB2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -84.87 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' ASP . 37.6 t70 -114.05 87.63 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.777 ' O ' HD11 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 59.27 -84.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 157' ' ' ASP . 3.5 m-20 -144.37 54.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -163.33 140.16 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 10.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.911 ' O ' HD23 ' A' ' 190' ' ' LEU . 3.0 t 155.91 143.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 10.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.815 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -158.6 178.3 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 8.7 m-30 -94.32 118.47 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 10.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 165' ' ' ILE . 82.1 mt -90.5 118.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.891 HG23 ' HA ' ' A' ' 83' ' ' LEU . 1.4 mp -96.88 74.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 183' ' ' ARG . 8.0 p-80 -115.43 175.92 5.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.78 ' HB2' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER 67.54 24.29 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 10.0 110.339 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.416 ' HB3' ' O ' ' A' ' 82' ' ' SER . 1.2 pt20 -82.69 167.85 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.655 ' H ' ' HB1' ' A' ' 81' ' ' ALA . . . -68.47 -175.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -65.33 -174.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 171' ' ' ASP . 28.4 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' A' ' 170' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 178' ' ' GLY . 9.5 t-20 33.75 75.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 10.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.85 40.65 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.704 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 131.01 106.71 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 10.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 161.91 133.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 10.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -63.08 114.97 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 10.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -125.43 -42.11 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 10.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.646 HG11 ' HB ' ' A' ' 165' ' ' ILE . 10.6 p -100.62 118.03 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 10.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.89 128.96 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 10.0 108.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.646 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -112.3 -48.5 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.815 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 32.67 54.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 45' ' ' VAL . 55.2 mt -155.59 62.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 161' ' ' SER . 2.1 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.885 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -133.16 107.61 8.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 10.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.91 -152.28 7.12 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -72.57 -160.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 10.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.65 95.44 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.617 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 17.6 m -132.68 113.3 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -97.47 91.94 5.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 58' ' ' ILE . 3.8 mt -89.0 84.42 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.93 121.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 10.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.931 ' OD1' HD21 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -84.04 107.14 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.54 -94.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 10.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -143.24 -11.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -24.79 -57.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 11.4 tptt 172.52 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . 83.48 153.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.057 HG23 ' HB1' ' A' ' 74' ' ' ALA . 15.4 m -84.58 -32.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.6 -115.31 0.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -170.13 174.45 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 10.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.005 HG23 HG22 ' A' ' 72' ' ' ILE . 21.0 mm -114.13 119.36 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.885 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 31.9 mm-40 -149.22 85.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.918 ' CG2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -100.07 175.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -140.3 109.3 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 10.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.721 ' CB ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -32.33 144.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 10.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -132.36 -149.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -150.77 66.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.26 -70.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.7 tt0 -145.06 -154.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.29 130.12 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 10.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.848 ' O ' HD11 ' A' ' 147' ' ' LEU . 4.9 mp -85.5 84.13 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.658 ' HA ' HG21 ' A' ' 60' ' ' ILE . 7.3 m-20 -160.42 52.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 70' ' ' ILE . 20.4 mm -84.25 56.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.3 m170 154.97 59.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HG23 ' A' ' 58' ' ' ILE . 1.8 pp -114.51 68.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 10.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 48.2 p -83.04 176.19 9.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.057 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 88.47 57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.808 ' ND2' HD13 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -121.81 -15.73 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.4 OUTLIER -145.67 108.11 4.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 10.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.931 HD21 ' OD1' ' A' ' 49' ' ' ASN . 1.2 mp -49.46 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 161.11 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.05 58.84 5.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 10.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 34.11 70.33 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -103.61 175.99 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 10.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.617 ' C ' HD13 ' A' ' 83' ' ' LEU . 16.6 m -121.03 126.11 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.744 HD12 HG21 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -114.7 138.58 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.61 -155.1 24.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 10.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 15.5 p90 -177.77 97.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 1.1 p-80 177.02 116.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 161' ' ' SER . 1.1 tp -81.2 149.52 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -84.27 170.05 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 10.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -114.42 -17.71 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 10.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -105.24 27.62 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 94' ' ' VAL . . . 70.77 160.11 3.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 10.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -83.92 98.18 9.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 10.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.3 m 52.07 64.45 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 108.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.567 HG21 HD22 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -148.65 115.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 63.31 86.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 10.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 10.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -175.13 61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 22.3 p90 -127.46 78.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.16 59.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 10.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.5 m 59.0 104.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 10.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.09 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -81.25 -120.95 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.1 . . . . 10.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.19 178.52 52.43 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -166.77 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 10.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 68.08 111.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . 1.2 pp -84.27 113.61 49.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 128' ' ' LEU . 18.1 Cg_endo -75.05 163.16 35.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.408 1.741 . . . . 10.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.423 ' C ' HD23 ' A' ' 128' ' ' LEU . 87.0 m-20 -87.45 67.29 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 10.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.808 HD13 ' ND2' ' A' ' 75' ' ' ASN . 1.1 mt -109.59 58.33 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 10.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -84.97 92.38 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 81' ' ' ALA . 79.3 t -32.1 140.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 10.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.08 -32.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 10.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -112.37 -62.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 10.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 149.6 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 10.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' SER . . . 72.61 62.79 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -82.57 59.34 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 10.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.43 HG11 ' OD1' ' A' ' 75' ' ' ASN . 1.9 t -134.14 126.48 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -168.48 56.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 137' ' ' ASP . 2.3 t -167.79 166.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -134.28 76.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 10.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 19.05 3.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -170.66 83.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 10.0 109.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.77 123.09 18.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 10.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -178.77 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.6 p -94.97 64.35 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 152' ' ' LYS . 9.9 m -87.45 117.08 26.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 10.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.848 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 146' ' ' SER . 40.2 mmtt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -81.79 54.22 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.78 10.48 15.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 10.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.679 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.01 -31.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.679 HD23 ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -124.55 58.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 153' ' ' LEU . 3.6 t0 -133.9 -87.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 157' ' ' ASP . 0.8 OUTLIER -55.16 -29.17 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.46 47.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 10.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -112.83 -155.3 12.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.134 . . . . 10.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.6 t 158.19 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 10.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -83.4 174.9 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.36 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 165' ' ' ILE . 6.6 pt -122.44 139.8 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 165' ' ' ILE . 2.6 mp -117.53 94.28 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 1.1 p80 -144.36 177.7 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' CG ' ' A' ' 168' ' ' GLN . 0.2 OUTLIER 76.54 -0.16 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -153.07 173.05 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.571 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 68.66 87.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -93.89 174.2 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 10.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 10.0 109.326 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.1 t-20 170.05 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.4 t 81.44 42.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . -158.16 102.43 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 52.83 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 10.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.53 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.4 mtm-85 -50.76 126.92 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 10.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.544 ' CD1' HG12 ' A' ' 185' ' ' VAL . 2.5 pp -127.73 -42.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 165' ' ' ILE . 4.3 p -119.82 134.17 64.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 10.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.481 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -155.61 143.56 19.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 108.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 188' ' ' ALA . . . -90.64 -118.69 2.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 172.11 83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.2 OUTLIER -135.71 105.86 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.567 HD22 HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.5 t80 -166.53 172.16 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 83.62 146.2 6.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 10.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 178.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 10.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 5.5 p80 -176.65 152.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 10.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.562 HG21 ' HA2' ' A' ' 187' ' ' GLY . 12.5 p -99.01 118.82 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -67.23 99.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 45' ' ' VAL . 14.4 mt -84.76 88.48 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 10.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 9.4 p -114.71 139.99 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.74 164.37 12.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 10.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -54.88 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.4 mm-40 -108.01 -47.71 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -28.98 -47.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 10.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 87.05 -29.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 10.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.35 162.55 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 10.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 HD21 ' A' ' 77' ' ' LEU . 31.5 m -151.49 20.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.33 -151.01 17.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 10.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 p90 -178.82 175.21 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 10.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 7.1 mm -116.94 96.81 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 2.5 mt-10 -138.19 121.64 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 10.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 147' ' ' LEU . 2.7 mt -109.18 142.33 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.98 85.24 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 10.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.82 124.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -147.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -156.13 63.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -135.8 -166.7 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.86 139.0 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 10.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.628 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -86.17 96.48 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 10.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.543 ' HB3' HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -161.84 49.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.708 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 14.0 mm -87.21 53.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.708 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER 149.58 57.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 HG22 ' A' ' 138' ' ' VAL . 2.0 pp -118.35 57.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.42 176.72 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' C ' ' ND2' ' A' ' 75' ' ' ASN . . . -147.09 57.71 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.868 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.44 151.26 24.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.649 ' H ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER 166.31 55.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 109.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.835 HD22 ' CB ' ' A' ' 81' ' ' ALA . 2.8 mp -107.79 -96.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.661 ' N ' HG11 ' A' ' 130' ' ' VAL . 1.5 mtt180 160.22 -50.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 10.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.0 Cg_endo -75.04 52.62 3.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 10.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.23 38.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 10.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.835 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -63.19 159.96 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.85 ' C ' HD13 ' A' ' 83' ' ' LEU . 10.2 m -100.51 128.07 46.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 10.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.997 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -122.34 92.05 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.28 128.42 44.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 86' ' ' HIS . 2.1 t80 -125.63 170.61 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 173.21 174.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.581 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 155' ' ' ILE . 17.5 mm -95.6 -39.23 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 24.7 p90 -151.99 152.15 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -82.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.57 48.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.18 165.67 41.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 10.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.721 ' HB2' ' HB1' ' A' ' 188' ' ' ALA . 3.1 t -84.82 125.17 32.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 127.51 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 95' ' ' ARG . 7.5 p -159.36 -49.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 10.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 94' ' ' VAL . 37.2 mmt180 -65.73 157.26 80.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 121.22 6.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 128.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' SER . 3.4 t80 -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 10.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.9 80.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 10.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' PHE . 80.7 p -177.08 151.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.47 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.75 -105.83 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.5 -173.77 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 10.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.01 123.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 10.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.41 130.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 125' ' ' LEU . 18.1 Cg_endo -75.02 170.95 19.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 10.0 110.983 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -92.96 59.85 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 136' ' ' VAL . 4.7 mt -129.47 59.06 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 4.0 pt-20 -94.85 62.56 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.661 HG11 ' N ' ' A' ' 78' ' ' ARG . 1.5 t 38.56 -147.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.542 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 86.83 -66.57 3.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 10.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -65.33 -38.72 90.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 9.5 m-20 149.41 -14.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.515 ' O ' ' O ' ' A' ' 75' ' ' ASN . . . 87.25 19.55 54.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 10.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -114.93 83.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 10.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 128' ' ' LEU . 0.9 OUTLIER -110.77 117.19 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.24 128.72 54.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 10.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.966 HG22 HD11 ' A' ' 72' ' ' ILE . 2.6 m -111.89 107.88 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -141.48 35.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 141' ' ' ASN . 3.4 ptt? -100.88 126.79 47.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 140' ' ' MET . 1.8 t30 41.28 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.76 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -111.46 145.82 33.36 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.05 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 10.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.91 59.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.76 HG23 ' HB1' ' A' ' 142' ' ' ALA . 46.0 p -53.61 96.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.15 70.46 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 10.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 153' ' ' LEU . 16.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' LEU . 14.4 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -38.33 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 26.5 t-20 66.16 10.6 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.24 -24.92 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 155' ' ' ILE . 2.7 mm? -86.57 -162.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 159' ' ' ASP . 19.7 t70 -85.39 74.78 10.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 64.06 -78.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 10.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 157' ' ' ASP . 2.7 p-10 -141.9 50.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 156' ' ' LEU . . . -170.62 -136.97 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 10.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.554 ' OG ' ' CZ ' ' A' ' 163' ' ' PHE . 0.1 OUTLIER -162.0 -171.13 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 10.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -148.83 109.18 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 21.5 m-85 -148.21 81.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.2 pt -92.22 125.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 10.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.997 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -118.53 71.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 10.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 5.3 p80 -136.7 176.9 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 80.05 -11.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 10.0 110.334 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 37.0 mm-40 -142.37 176.07 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . 58.92 -173.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 5.3 t0 80.36 146.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 180' ' ' SER . 16.5 t-20 -42.83 -47.87 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER 83.94 -10.99 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 10.0 109.969 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 64.52 -74.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 58.21 113.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 182' ' ' ALA . 10.6 ttm180 33.24 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.781 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -135.57 -57.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.781 ' N ' HD12 ' A' ' 184' ' ' ILE . 9.5 p -104.05 154.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 144.3 21.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 108.34 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -101.96 -115.73 4.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 10.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.721 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . 75.53 175.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 10.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 190' ' ' LEU . 5.7 mt 65.54 67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -47.75 -72.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 10.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.81 102.28 1.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.119 . . . . 10.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -97.1 100.1 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 10.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -144.72 57.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 10.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 187' ' ' GLY . 3.6 t -142.25 76.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.58 106.41 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 10.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HG13 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -101.21 87.12 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 53' ' ' LYS . 5.7 t -125.39 100.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 10.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.798 HD21 HD21 ' A' ' 77' ' ' LEU . 18.5 p30 -84.93 170.65 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -91.37 37.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.759 ' OE2' ' HB1' ' A' ' 169' ' ' ALA . 91.8 mt-10 -114.32 -77.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.26 -73.97 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 10.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -169.06 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 10.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -167.56 146.17 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.461 HG12 HD11 ' A' ' 77' ' ' LEU . 11.4 m -84.92 -21.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.41 -129.14 2.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.73 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -172.34 160.84 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 10.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.807 ' CG1' HG11 ' A' ' 45' ' ' VAL . 21.2 mm -122.85 122.93 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.5 mt-10 -129.66 125.29 35.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.37 145.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -176.07 56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.64 ' H ' HD11 ' A' ' 147' ' ' LEU . 1.2 pt-20 -32.45 121.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 10.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -55.19 -56.02 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 10.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.72 -49.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.3 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -97.28 174.83 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.458 ' HA2' HG23 ' A' ' 70' ' ' ILE . . . -57.47 84.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 10.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.712 ' C ' HG22 ' A' ' 139' ' ' ILE . 1.7 mm? -114.86 -14.7 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 10.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 6.1 t70 -156.91 24.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -85.02 146.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -127.76 68.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 60' ' ' ILE . 1.2 pp -105.76 68.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 10.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.43 ' HB2' ' N ' ' A' ' 136' ' ' VAL . 27.8 p -147.85 151.96 36.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -115.38 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -12.32 30.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.4 t 59.36 57.78 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 49' ' ' ASN . 1.1 mt 46.01 -92.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 157.76 -51.21 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 10.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 88.98 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.73 68.26 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 10.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 76' ' ' SER . . . -67.88 159.53 30.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 10.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 50.6 m -132.28 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 10.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -92.43 137.54 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.81 -44.44 7.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' A' ' 128' ' ' LEU . 0.5 OUTLIER 60.69 173.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 10.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.473 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.4 OUTLIER 59.32 106.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -150.58 152.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 87' ' ' ILE . 15.0 m-85 -160.55 58.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 10.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER 167.11 47.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 164' ' ' ILE . 12.1 mmmt -139.83 148.99 42.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.595 ' HA2' ' HB1' ' A' ' 188' ' ' ALA . . . 175.5 -38.7 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 10.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -85.92 99.61 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 10.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.431 ' C ' HG12 ' A' ' 94' ' ' VAL . 6.6 m -109.59 156.73 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 10.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 94' ' ' VAL . 4.1 p 41.43 43.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -145.09 146.14 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.76 135.69 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -141.17 77.18 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.64 -75.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 10.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.7 t -165.7 94.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.3 -45.33 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.06 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 10.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.91 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 10.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 10.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.84 153.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mt -124.38 155.05 69.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -74.96 170.41 20.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.46 66.1 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -136.31 62.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.492 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -153.35 64.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 10.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.9 OUTLIER -153.64 -156.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 10.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.863 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -48.75 -85.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 10.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.24 38.18 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 10.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -72.33 -17.84 61.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -85.43 -1.55 87.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 10.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 58.03 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 10.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.4 t -108.98 91.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.407 ' OD1' ' OG ' ' A' ' 73' ' ' SER . 3.3 m-20 -109.77 116.79 32.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 10.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.9 m -91.66 93.22 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.712 HG22 ' C ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.25 8.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.55 107.4 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 69.85 55.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.6 173.11 7.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 10.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.08 -42.44 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 1.4 m-20 154.74 69.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 10.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 17.9 p -76.94 54.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 152' ' ' LYS . 4.5 m -76.85 112.83 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.447 ' HG2' HD23 ' A' ' 153' ' ' LEU . 4.9 ttmt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.664 ' HB2' HD11 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -135.85 89.83 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -107.63 30.34 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -7.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.09 -163.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.515 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.55 176.53 8.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 10.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -25.5 26.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 10.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.54 -52.24 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 166.07 -141.67 7.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.152 . . . . 10.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.1 p 158.6 144.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 10.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -158.41 175.45 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 10.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 61.6 m-85 -83.18 95.63 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 10.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.672 HG21 ' NE2' ' A' ' 166' ' ' HIS . 1.8 mp -84.32 144.62 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 83' ' ' LEU . 1.3 mp -116.25 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.672 ' NE2' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -147.4 173.79 12.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 10.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 79.4 -25.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 10.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 5.6 mt-30 -131.5 161.57 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.759 ' HB1' ' OE2' ' A' ' 51' ' ' GLU . . . -141.31 -90.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.78 37.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 10.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -94.06 32.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 10.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.755 ' HA ' ' HB2' ' A' ' 169' ' ' ALA . 15.5 p -95.67 49.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 184' ' ' ILE . . . -119.84 95.59 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 10.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 166' ' ' HIS . . . -36.28 154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.6 OUTLIER 79.92 58.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.355 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.822 HG12 HG12 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -130.45 -44.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.822 HG12 HG12 ' A' ' 184' ' ' ILE . 0.7 OUTLIER -135.61 144.76 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 10.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.411 ' HA ' HG23 ' A' ' 164' ' ' ILE . 1.6 p -156.47 137.13 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 1.019 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -114.95 13.97 19.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.595 ' HB1' ' HA2' ' A' ' 91' ' ' GLY . . . -49.21 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 10.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' A' ' 91' ' ' GLY . 11.7 mt 57.51 60.93 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 10.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.751 HD23 HG21 ' A' ' 45' ' ' VAL . 29.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 59' ' ' GLU . 12.0 p90 -68.62 59.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -36.87 -68.74 0.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -43.72 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 10.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -170.8 160.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 10.0 109.588 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.982 HG11 ' HA2' ' A' ' 187' ' ' GLY . 42.9 t -140.17 138.67 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 10.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.24 105.41 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 10.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -83.41 96.89 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.608 ' N ' HG21 ' A' ' 185' ' ' VAL . 1.1 t -103.82 122.75 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.996 ' ND2' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.93 166.94 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -60.66 -51.3 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 10.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -118.83 -37.21 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -46.8 -35.11 7.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 10.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.8 tptt 91.94 -22.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 10.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . 179.45 141.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 10.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.996 HG12 ' ND2' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -106.34 21.91 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 116.71 -138.91 14.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 47' ' ' LEU . 5.3 p90 -157.76 160.41 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 10.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.82 HD11 HD21 ' A' ' 47' ' ' LEU . 17.9 mm -105.88 137.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 41' ' ' PHE . 24.8 mt-10 -149.56 70.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.932 HG23 HG21 ' A' ' 70' ' ' ILE . 63.3 mt -87.66 106.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -105.89 84.66 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.6 mp0 -30.84 127.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 10.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 13.1 t -103.34 -148.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.29 77.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.95 -82.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 10.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -155.59 157.0 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 145' ' ' THR . . . 42.17 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.882 HD23 ' OG1' ' A' ' 145' ' ' THR . 4.4 pp -153.5 159.35 42.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 139' ' ' ILE . 12.2 t0 -156.97 39.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.932 HG21 HG23 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -84.52 172.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -114.94 66.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.9 121.88 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -80.3 176.42 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.03 -10.26 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 130' ' ' VAL . 29.1 t 45.82 56.79 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 10.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.824 ' CD1' HD11 ' A' ' 83' ' ' LEU . 11.1 mt 39.61 -86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 162.11 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.99 58.82 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 10.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.47 57.75 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.555 1.159 . . . . 10.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -94.13 155.9 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 63.3 m -83.07 92.33 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 10.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.824 HD11 ' CD1' ' A' ' 77' ' ' LEU . 2.5 mm? -98.56 87.71 3.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.88 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 148.53 168.58 14.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 10.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' HIS . 1.4 t80 177.17 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 10.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' PHE . 12.5 t-80 58.13 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 10.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.761 HG23 ' N ' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -61.76 -158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.761 ' N ' HG23 ' A' ' 87' ' ' ILE . 2.9 p90 -86.19 175.12 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.11 -55.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 10.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 99.4 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.24 163.8 6.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 10.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -96.24 -154.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 m -96.86 85.6 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.09 30.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 10.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.54 146.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 10.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -173.76 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.03 108.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.3 175.44 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 10.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.93 -63.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.31 -75.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.96 -109.55 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 10.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.71 83.97 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 10.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.978 -0.849 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.49 159.49 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 126' ' ' PRO . 1.0 OUTLIER -147.53 143.76 18.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 10.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.82 59.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.41 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 16.4 mt -146.47 65.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.3 pt-20 -84.0 56.55 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 76' ' ' SER . 1.5 t 31.65 -144.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 89.96 -36.18 3.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 10.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -125.2 3.58 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 76.9 65.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 10.0 109.364 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.512 ' N ' ' CB ' ' A' ' 76' ' ' SER . . . 40.69 26.95 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' ASP . 12.4 mtpt -88.83 62.97 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 10.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -112.38 161.61 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 0.8 OUTLIER -139.53 89.96 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 10.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 9.8 m -80.08 117.09 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 69' ' ' ASP . 32.0 mm -114.0 -116.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.547 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -81.92 101.93 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 10.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.93 40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 10.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -115.79 166.8 11.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 10.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -158.35 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.882 ' OG1' HD23 ' A' ' 68' ' ' LEU . 15.5 p -117.99 48.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 10.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 145' ' ' THR . 3.2 pp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.458 ' O ' ' CA ' ' A' ' 147' ' ' LEU . 19.8 mttm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -113.08 -18.9 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 10.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 3.9 t-20 68.17 2.53 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.38 45.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 105.0 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' GLU . 4.7 t70 -83.63 175.38 9.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' ASP . 4.2 mt-10 -37.38 -58.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 189' ' ' LEU . 9.2 m-20 -85.74 -54.75 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 174.79 -122.66 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 10.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.568 ' O ' HD11 ' A' ' 190' ' ' LEU . 2.3 p 157.36 131.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 10.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.897 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -156.68 -179.73 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -82.31 118.23 22.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.22 136.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.88 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.4 mp -121.4 118.95 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 2.9 p80 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 10.0 109.579 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.41 25.06 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.432 ' HG3' ' CB ' ' A' ' 180' ' ' SER . 0.8 OUTLIER -81.42 176.96 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 10.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -133.46 -177.08 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.06 127.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 7.7 m120 41.16 70.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 168' ' ' GLN . 0.1 OUTLIER -175.16 73.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.66 25.73 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 10.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -178.3 175.58 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 10.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 4.0 mtp180 -57.66 124.26 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.694 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -119.41 -72.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.694 ' N ' HG22 ' A' ' 184' ' ' ILE . 6.4 p -99.97 139.73 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 28.0 p -158.41 153.17 24.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 10.0 108.317 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.982 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -108.12 -74.98 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 10.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.897 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 25.5 53.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.595 HD23 ' HB3' ' A' ' 159' ' ' ASP . 77.7 mt -158.66 59.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 153' ' ' LEU . 28.8 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.84 97.3 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.31 -169.79 14.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 18.2 t-160 -106.07 -84.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -167.42 85.11 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 10.0 109.566 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.686 HG11 ' H ' ' A' ' 189' ' ' LEU . 19.4 m -139.51 96.0 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.67 112.65 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -83.83 82.29 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 185' ' ' VAL . 54.4 t -110.25 130.35 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.485 HD21 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.72 164.25 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 179' ' ' ASN . 60.4 mtt180 -84.33 46.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 10.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -124.16 -57.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.19 -77.85 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -173.0 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.917 HG11 ' O ' ' A' ' 75' ' ' ASN . 6.0 m -85.42 -24.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 10.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 154.23 -109.5 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 10.0 111.035 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CD2' ' CG ' ' A' ' 59' ' ' GLU . 13.4 t80 -175.2 156.62 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 10.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 mm -90.04 97.13 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 57' ' ' PHE . 25.5 mt-10 -111.47 69.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.561 HD11 HD22 ' A' ' 190' ' ' LEU . 11.5 pt -82.95 150.47 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -134.28 112.97 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -28.48 140.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -80.34 -171.24 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.94 30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.77 -76.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -153.47 173.47 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 10.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.12 -142.86 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -110.76 105.56 14.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 10.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 9.5 t70 -95.28 41.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.976 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -83.67 175.55 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -131.67 101.16 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 10.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.557 HG21 HG23 ' A' ' 60' ' ' ILE . 2.3 pp -135.14 134.09 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.79 63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -153.07 104.36 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 10.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.917 ' O ' HG11 ' A' ' 55' ' ' VAL . 20.6 m120 -156.78 -39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.972 ' OG ' HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -151.08 109.75 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.994 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 52.6 mt -76.49 42.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.822 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 67.56 40.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 110.242 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.822 ' HD3' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -74.96 -32.04 5.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' H ' HG21 ' A' ' 130' ' ' VAL . . . 98.51 43.08 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 130' ' ' VAL . . . -136.45 179.4 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.779 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.6 m -81.39 159.91 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.972 HD11 ' OG ' ' A' ' 76' ' ' SER . 2.3 mm? -131.72 106.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' N ' ' NE2' ' A' ' 168' ' ' GLN . . . -85.96 106.3 3.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 72' ' ' ILE . 2.9 t80 -128.97 67.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 10.0 111.034 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.75 146.29 30.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.556 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.545 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.78 120.51 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 10.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 t80 -154.6 94.61 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 10.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 12.0 pt-20 38.5 53.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -133.23 170.5 15.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.19 140.78 2.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -154.22 -171.57 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' SER . 3.8 m 87.59 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 94' ' ' VAL . 58.4 t -110.45 50.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 8.1 mmt180 -155.83 102.23 2.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 10.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -170.07 146.47 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 10.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -138.85 43.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -91.51 166.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 10.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 106.98 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.76 82.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.84 159.3 8.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 10.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.13 -145.89 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.413 ' HA ' ' HA3' ' A' ' 123' ' ' GLY . 18.2 Cg_endo -75.02 -169.36 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 10.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 23.2 t0 80.82 126.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 10.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.16 156.63 50.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.575 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -75.02 68.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 126' ' ' PRO . 51.8 m-20 36.91 58.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 136' ' ' VAL . 14.6 mt -120.91 60.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.578 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.4 pt-20 -84.73 52.1 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 10.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' HB3' ' A' ' 76' ' ' SER . 4.1 p 25.23 -142.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 76.63 -53.6 3.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -71.19 -69.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.0 OUTLIER 154.94 51.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 10.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 45.53 40.72 8.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 10.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 96.81 8.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -109.42 59.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 18.5 p-10 -56.2 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.976 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.1 m 50.42 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -136.81 136.77 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 10.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 141' ' ' ASN . 4.2 mmt -124.52 93.74 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 140' ' ' MET . 13.9 t-20 163.29 64.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.5 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -154.73 145.55 16.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.38 50.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.5 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 6.1 p -85.19 70.84 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 118.69 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 153' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.5 pp -79.99 49.09 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.33 18.15 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.837 HD13 HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -108.24 -21.4 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 155' ' ' ILE . 5.3 mt -83.98 -138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 160' ' ' GLY . 4.0 t70 -102.0 99.28 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 53.52 -95.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.441 ' HA ' HD11 ' A' ' 153' ' ' LEU . 2.1 m-20 -119.68 -4.54 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -122.48 -161.9 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.56 -169.25 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 10.0 109.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -155.5 107.98 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.659 ' CD1' ' HB1' ' A' ' 188' ' ' ALA . 19.0 p90 -157.25 60.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.84 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG11 ' A' ' 185' ' ' VAL . 2.2 mp -107.08 77.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.414 ' O ' ' OE1' ' A' ' 168' ' ' GLN . 2.1 p80 -129.14 176.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 10.0 109.637 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 168' ' ' GLN . 4.2 mt-10 61.49 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 10.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.46 ' NE2' ' N ' ' A' ' 84' ' ' GLY . 1.7 mm100 -94.27 175.7 6.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.65 -172.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 180' ' ' SER . 9.3 p-10 -107.4 -173.5 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' ' ND2' ' A' ' 179' ' ' ASN . 6.8 p-10 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 10.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 50' ' ' ARG . 1.2 m-20 -83.31 53.83 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 170' ' ' ASP . 89.4 p -154.17 73.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 10.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.99 133.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 10.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 71.93 175.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 10.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 137.74 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -134.6 -45.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.708 HG11 ' HB ' ' A' ' 165' ' ' ILE . 8.1 p -116.39 152.89 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.4 147.73 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 108.278 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 172.47 49.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 10.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' A' ' 163' ' ' PHE . . . -127.11 66.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.686 ' H ' HG11 ' A' ' 45' ' ' VAL . 1.4 mt -113.33 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 10.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 60' ' ' ILE . 12.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.93 -52.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.07 -142.17 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 10.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 169.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 10.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -173.07 144.4 1.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.939 HG21 HD12 ' A' ' 189' ' ' LEU . 10.5 t -110.31 62.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 57' ' ' PHE . 6.1 pt20 -37.84 139.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 10.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' A' ' 74' ' ' ALA . 6.5 mt -91.34 93.61 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.788 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 6.3 m -94.9 91.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.779 ' HB3' HG11 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.07 148.18 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.905 ' N ' ' HB1' ' A' ' 169' ' ' ALA . 0.0 OUTLIER 58.44 128.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' CB ' ' NE ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 34.38 31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 34.44 37.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 10.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.806 ' HB2' HH21 ' A' ' 50' ' ' ARG . 14.0 tptm -78.2 -41.16 35.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 10.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 60.38 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 10.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 77' ' ' LEU . 5.2 m -114.15 5.24 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 74' ' ' ALA . . . -144.04 -153.02 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' C ' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER 161.32 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.571 HD13 ' C ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -106.59 99.61 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' OE2' ' CG ' ' A' ' 57' ' ' PHE . 2.6 mt-10 -151.17 88.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 10.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.854 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -109.16 153.74 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' N ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -175.48 58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.7 mt-10 -137.49 -107.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.87 161.86 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 110.018 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 147' ' ' LEU . 4.7 p30 -155.41 58.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.52 -75.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 10.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.94 129.83 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 10.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.828 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 38.09 82.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 10.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -84.78 -164.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -149.69 55.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.63 176.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -108.37 88.41 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 10.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.658 HG21 HG22 ' A' ' 60' ' ' ILE . 1.9 pp -138.51 102.56 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 107.0 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB3' HD12 ' A' ' 47' ' ' LEU . . . -142.02 81.06 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 10.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.501 ' CB ' ' CA ' ' A' ' 134' ' ' GLY . 72.5 m-20 -158.79 -42.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.475 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.3 OUTLIER -74.47 59.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 10.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.018 HD12 HD11 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -45.54 -92.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 10.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.84 -57.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.03 54.02 3.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.96 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 10.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -72.96 156.21 39.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 10.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.3 m -90.74 132.12 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 10.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.24 125.12 47.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -52.79 -167.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 10.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 88' ' ' TYR . 5.4 p90 -81.78 171.19 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 10.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' ILE . 89.2 m-70 -137.79 159.09 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 10.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' HIS . 1.9 mp 38.96 54.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 10.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -105.03 114.89 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 10.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 44.86 -93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -118.74 -168.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.01 -160.72 28.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.25 167.19 31.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 10.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.93 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 10.0 108.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 94' ' ' VAL . 90.9 t 65.08 50.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 10.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -164.47 111.96 0.89 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -78.44 -178.23 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' ASP . 8.9 m-85 37.65 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.16 -61.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 p -160.95 164.67 30.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.49 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 10.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.22 -127.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 10.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.6 -170.58 13.59 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -79.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 10.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 109.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.81 153.24 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.416 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 18.2 Cg_endo -74.98 166.37 29.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 10.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.498 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.1 m-20 -100.31 175.76 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 10.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 133' ' ' ASP . 1.3 mp 76.47 119.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 10.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.34 60.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.623 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.4 t 48.18 -149.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 58.88 29.74 65.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 10.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 88.3 -13.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 10.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 1.2 t70 -70.84 -2.27 14.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.501 ' CA ' ' CB ' ' A' ' 75' ' ' ASN . . . -120.42 0.35 12.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.99 66.49 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 99.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 138' ' ' VAL . 11.3 p-10 -140.85 154.58 46.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 137' ' ' ASP . 13.8 m 46.48 102.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 142' ' ' ALA . 2.6 mp -88.73 154.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 10.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtm -136.82 21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.614 ' H ' HG22 ' A' ' 139' ' ' ILE . 1.4 m120 164.32 68.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.891 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.68 -178.64 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.891 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.96 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 10.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 t70 176.56 61.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.411 ' OG1' HD22 ' A' ' 68' ' ' LEU . 39.1 p -76.25 69.29 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 10.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -83.61 83.89 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.867 ' O ' HD23 ' A' ' 153' ' ' LEU . 11.7 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 147' ' ' LEU . 2.9 pp -67.23 68.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 152' ' ' LYS . 44.1 t30 -85.0 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.801 HD13 ' C ' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -109.59 -21.12 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 10.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 153' ' ' LEU . 3.0 pp -116.04 -158.6 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 156' ' ' LEU . 24.2 t70 -83.71 151.98 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -47.62 -23.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -84.77 -67.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.667 ' C ' HD13 ' A' ' 156' ' ' LEU . . . -170.49 -165.73 28.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 10.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.662 ' C ' ' HB1' ' A' ' 188' ' ' ALA . 17.9 p -53.9 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 10.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -141.93 106.47 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.787 ' H ' ' HB2' ' A' ' 188' ' ' ALA . 17.3 m-85 -146.18 78.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.5 mm -97.18 129.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 10.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.75 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.5 mp -116.07 124.17 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -155.58 178.46 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.562 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 82.33 -16.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 4.4 mt-30 -156.23 176.98 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.905 ' HB1' ' N ' ' A' ' 50' ' ' ARG . . . 73.27 113.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 10.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.463 ' N ' ' HA ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -78.48 154.47 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 10.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 170' ' ' ASP . 3.1 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.66 ' O ' HG22 ' A' ' 184' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.3 p-10 -141.08 108.66 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 10.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 t 90.23 52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 152.27 132.53 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 67.55 174.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 10.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.426 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 7.2 ttm180 -52.15 129.9 28.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 178' ' ' GLY . 1.6 pp -137.33 -53.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 49' ' ' ASN . 6.2 p -109.16 130.68 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.45 172.26 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 10.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . 152.69 133.99 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 10.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.787 ' HB2' ' H ' ' A' ' 163' ' ' PHE . . . 179.34 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.939 HD12 HG21 ' A' ' 45' ' ' VAL . 24.5 mt -134.3 69.62 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 156' ' ' LEU . 49.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 10.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -151.74 -175.32 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.04 135.17 8.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 2.1 m80 -87.5 -32.88 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 10.0 109.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 63.04 148.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 10.0 109.624 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.779 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.3 OUTLIER -102.62 176.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -98.87 99.88 11.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 10.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 58' ' ' ILE . 1.2 mt -98.33 86.68 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 53' ' ' LYS . 7.0 t -115.21 120.64 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.834 ' CG ' HG11 ' A' ' 185' ' ' VAL . 3.1 m120 -105.06 168.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.08 31.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' GLY . 3.0 pp20? -95.73 -43.14 8.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 51' ' ' GLU . . . -146.98 -57.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.771 ' O ' HG13 ' A' ' 48' ' ' VAL . 3.1 tttt -178.25 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -142.9 166.28 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 77' ' ' LEU . 14.6 m -133.79 -1.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 75' ' ' ASN . . . 136.63 -153.05 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 51.1 m-85 -157.11 175.45 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 10.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.768 ' CD1' HD11 ' A' ' 47' ' ' LEU . 20.9 mm -111.89 90.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -112.82 99.76 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 10.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -99.43 152.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -133.84 108.9 8.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -35.15 140.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 10.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 69' ' ' ASP . 9.5 t -103.12 -155.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.48 39.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -85.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -104.05 -157.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 10.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.736 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -40.31 -71.61 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 10.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.633 HD23 HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -156.29 148.57 23.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 10.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' OG ' ' A' ' 63' ' ' SER . 20.3 p-10 -139.32 48.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.2 pp -82.22 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -126.11 80.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 10.0 109.578 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 2.3 pp -109.91 95.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.486 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 8.0 p -125.8 90.42 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 10.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -63.27 90.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 133' ' ' ASP . 0.1 OUTLIER -132.5 134.95 45.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 10.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HB2' ' N ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 168.98 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.657 HD23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -142.76 -95.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 10.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER 158.65 -56.14 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 10.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 9.44 2.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 10.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 1.012 ' O ' HD21 ' A' ' 83' ' ' LEU . . . 67.49 -65.3 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.654 ' N ' HG22 ' A' ' 130' ' ' VAL . . . 59.13 175.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.4 m -83.88 105.45 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -106.72 91.49 3.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 10.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.85 156.25 4.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 10.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 1.4 t80 178.16 104.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.56 146.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 10.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -59.95 92.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -137.32 152.2 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 110.956 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.35 129.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 10.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -92.76 97.38 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 126.6 170.91 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p -97.3 142.91 28.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 10.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -47.17 -48.71 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -64.54 164.79 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 61.17 82.83 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.769 . . . . 10.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p30 176.87 95.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 10.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.32 100.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 10.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.05 126.15 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 10.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.4 p -135.85 161.82 34.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.93 -58.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.25 128.99 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.32 -81.84 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.29 10.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 7.3 t0 81.67 159.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 10.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 156.55 43.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 177.96 7.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 10.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 34.7 m-20 -95.18 59.12 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -122.49 58.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 130' ' ' VAL . 2.5 mm-40 -93.64 64.77 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 80' ' ' GLY . 37.3 t 58.04 157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.28 -103.59 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 10.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.695 ' HB3' ' CG ' ' A' ' 135' ' ' LYS . . . -91.57 32.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 3.9 m-20 86.82 35.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 10.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.489 ' HA3' ' CD1' ' A' ' 83' ' ' LEU . . . 81.08 53.77 3.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.695 ' CG ' ' HB3' ' A' ' 132' ' ' ALA . 53.6 mttt -90.96 93.43 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 10.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.678 HG11 ' HB3' ' A' ' 128' ' ' LEU . 1.5 m -136.29 84.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 10.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.701 ' C ' HG23 ' A' ' 138' ' ' VAL . 2.8 p-10 -134.7 175.94 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.834 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER 60.19 154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.834 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -128.45 -167.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 10.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.2 mtt -149.8 19.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.6 m-20 156.23 146.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.736 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -153.9 149.74 21.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.43 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 10.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.9 t0 176.32 64.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.58 ' OG1' HD12 ' A' ' 68' ' ' LEU . 25.3 p -105.65 51.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 10.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -60.81 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 147' ' ' LEU . 3.0 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 10.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 1.026 ' HB2' HD11 ' A' ' 156' ' ' LEU . 1.3 pp -76.28 56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 154' ' ' ASN . 0.7 OUTLIER -107.11 22.6 15.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -22.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -90.32 -136.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.623 ' N ' HD23 ' A' ' 156' ' ' LEU . 52.8 t0 -84.76 58.44 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 64.61 -75.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.2 m-20 -137.57 40.98 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.72 24.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 10.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -92.8 -173.4 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 10.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.95 110.48 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 26.2 m-85 -150.09 80.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 186' ' ' CYS . 5.4 pt -84.18 122.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.784 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.6 mp -98.78 135.28 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -176.93 175.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.21 17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 10.0 110.247 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 0.6 OUTLIER -83.1 175.48 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 10.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -113.48 129.06 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 6.4 t70 -43.33 -72.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 170' ' ' ASP . 2.2 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 10.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 168' ' ' GLN . 2.7 t30 -179.51 116.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 41.9 t -106.5 15.18 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 10.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 82.65 116.06 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 174.9 145.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 10.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 1.6 ptm180 -39.07 106.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 10.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 185' ' ' VAL . 1.9 pp -136.49 -49.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.834 HG11 ' CG ' ' A' ' 49' ' ' ASN . 13.9 p -112.58 152.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.845 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -156.05 153.94 30.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 10.0 108.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.779 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -109.49 -91.82 2.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 10.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 55.28 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.3 mt 53.62 81.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.59 170.46 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 10.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.96 152.34 43.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 p80 173.15 -177.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 10.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 72.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.531 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 187' ' ' GLY . 96.2 t -126.31 76.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.427 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -93.56 118.43 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -90.19 73.74 7.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.7 p -99.86 103.19 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 10.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.764 ' CG ' HG11 ' A' ' 185' ' ' VAL . 3.2 m-80 -94.99 171.54 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 10.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.93 12.3 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.36 -36.2 74.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.15 -45.88 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -141.87 -104.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 10.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -151.44 170.82 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 83' ' ' LEU . 4.4 m -83.37 -13.29 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.92 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 10.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 1.2 p90 177.66 160.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 10.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 47' ' ' LEU . 14.7 mm -115.02 92.32 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 10.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.39 81.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 10.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.606 HG22 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -88.45 156.55 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -147.13 116.68 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.2 pp20? -38.03 132.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 10.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.495 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 60.4 p -97.59 -165.55 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 10.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -166.76 61.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.15 -71.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 10.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 mp0 -123.78 -168.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 10.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.01 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 10.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.06 HD13 HD13 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -127.71 149.85 50.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 10.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 1.5 m-20 -154.86 39.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.94 ' CD1' HG23 ' A' ' 72' ' ' ILE . 2.6 pp -83.38 179.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.404 ' HA ' HG12 ' A' ' 138' ' ' VAL . 1.7 t-160 -113.42 108.87 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.572 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' CD1' ' A' ' 70' ' ' ILE . 2.3 pp -129.56 119.42 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.619 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -155.3 100.45 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 10.0 109.998 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -171.29 113.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' CA ' ' HB ' ' A' ' 55' ' ' VAL . 27.5 m-20 -137.3 -173.11 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.852 ' O ' HG13 ' A' ' 130' ' ' VAL . 2.3 m -64.94 113.15 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 10.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -94.71 37.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 173.57 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 10.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.03 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.591 ' HA2' HG21 ' A' ' 130' ' ' VAL . . . -65.82 55.73 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 10.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 169' ' ' ALA . . . -112.75 -179.65 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.2 m -79.39 121.58 25.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 10.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 76' ' ' SER . 3.2 mm? -85.25 72.01 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -27.45 97.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER -117.75 95.93 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 10.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.13 141.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.46 112.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -110.24 121.53 45.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.39 176.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -116.31 148.79 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.1 87.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -120.8 -172.7 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.048 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB2' HD21 ' A' ' 189' ' ' LEU . 1.1 m 68.92 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' SER . 17.5 m -102.09 49.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.7 mmt-85 -149.78 87.15 5.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 10.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.91 169.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 10.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -175.77 77.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 19.67 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 10.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.81 177.34 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.69 80.82 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.44 -147.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 10.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.06 151.35 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -77.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 10.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 10.0 110.968 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -131.69 120.09 22.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 0.766 . . . . 10.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.2 pp -109.83 112.69 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.5 Cg_endo -74.94 165.59 31.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 10.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -74.05 90.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -172.67 60.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 130' ' ' VAL . 1.2 pt-20 -93.18 54.41 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 76' ' ' SER . 1.9 t 36.11 -156.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.748 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 79.73 -9.34 44.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 10.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 135' ' ' LYS . . . -132.24 6.95 4.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 10.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 6.2 p-10 39.53 61.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 10.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 75' ' ' ASN . . . 105.15 69.87 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 10.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -139.59 175.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.329 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.555 ' O ' ' C ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 173.01 173.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.555 ' C ' ' O ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -27.13 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 1.06 HD13 HD13 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -84.88 -146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.468 ' H ' HG22 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -149.92 -176.22 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.994 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' MET . 42.5 t-20 -40.6 118.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.591 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -108.24 141.42 23.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 145' ' ' THR . 18.3 Cg_endo -74.98 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.555 1.818 . . . . 10.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 143' ' ' PRO . 6.4 t70 31.18 49.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 155' ' ' ILE . 0.8 OUTLIER -132.14 38.13 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 10.0 110.38 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -71.1 132.8 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 10.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.676 HD11 ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -82.58 -79.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.3 t-20 80.5 32.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.893 HG23 HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -138.3 -43.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -100.84 -154.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.0 OUTLIER -83.38 118.51 23.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 10.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.576 ' C ' ' O ' ' A' ' 157' ' ' ASP . 27.9 mt-10 -22.67 -55.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 157' ' ' ASP . 97.5 m-20 -127.74 53.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 10.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 157' ' ' ASP . . . -169.55 130.51 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 10.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 190' ' ' LEU . 0.0 OUTLIER 172.07 103.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 10.0 109.972 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.618 ' HB3' ' N ' ' A' ' 188' ' ' ALA . . . -158.17 176.12 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 85' ' ' PHE . 22.1 m-85 -93.17 109.56 21.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.512 HG22 ' HB2' ' A' ' 186' ' ' CYS . 1.0 OUTLIER -87.49 117.22 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.597 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -102.38 124.22 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 0.3 OUTLIER -179.58 176.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.62 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 78.21 -7.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 4.8 mt-30 -143.76 176.18 9.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 10.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.912 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . . . 66.26 93.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.64 111.04 21.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 109.32 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.6 ' O ' HG21 ' A' ' 184' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 10.0 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 34.7 t-20 -126.87 -43.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 10.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 31.1 t -91.54 32.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.613 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -145.66 89.08 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 10.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 78.15 169.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.508 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -71.06 134.89 47.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.827 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -131.36 -47.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.764 HG11 ' CG ' ' A' ' 49' ' ' ASN . 4.3 p -102.76 129.03 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.512 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.04 147.3 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 10.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.82 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -145.54 16.73 1.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.978 ' C ' HD22 ' A' ' 189' ' ' LEU . . . -69.53 61.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 10.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.978 HD22 ' C ' ' A' ' 188' ' ' ALA . 2.9 mm? -140.28 58.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 10.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 45' ' ' VAL . 67.2 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -102.56 44.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 59' ' ' GLU . . . -59.79 128.9 47.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -50.5 175.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 10.0 109.559 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 189' ' ' LEU . 15.7 t60 -96.57 60.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 10.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.05 105.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -108.75 131.3 55.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.909 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.04 99.0 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.81 ' O ' HG12 ' A' ' 185' ' ' VAL . 2.5 p -109.83 136.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.644 ' OD1' HG11 ' A' ' 185' ' ' VAL . 15.9 m-80 -89.98 128.48 36.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 10.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CB ' ' OD1' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -38.93 -34.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -107.37 -58.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.08 -47.85 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.9 tttm 91.92 8.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.752 ' HB2' ' CB ' ' A' ' 48' ' ' VAL . . . 84.97 133.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 15.3 m -145.04 18.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.567 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -142.92 -152.48 5.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 162.23 169.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 10.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 72' ' ' ILE . 21.8 mm -107.85 107.05 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE2' ' CE1' ' A' ' 57' ' ' PHE . 6.5 mt-10 -121.47 79.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 10.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.748 HG22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -83.94 165.78 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 10.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.665 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -148.58 62.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -9.82 109.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -95.2 -169.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 10.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -139.85 80.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.18 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 10.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -127.01 -172.29 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 10.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.673 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -44.35 -45.15 8.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 10.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -141.02 145.88 36.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.517 ' CA ' HG22 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -157.43 28.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.029 HD13 HG23 ' A' ' 72' ' ' ILE . 1.4 pp -84.57 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.496 ' N ' HD12 ' A' ' 70' ' ' ILE . 2.1 t-160 -130.84 96.61 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.029 HG23 HD13 ' A' ' 70' ' ' ILE . 2.6 pp -123.31 125.91 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -156.35 142.39 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 10.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -105.31 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 2.5 t-20 -97.5 -147.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 ' HB1' ' A' ' 74' ' ' ALA . 5.9 mp -45.21 -87.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.857 ' O ' HG11 ' A' ' 130' ' ' VAL . 5.2 mmp_? -113.32 157.25 41.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 10.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.26 41.03 60.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 10.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.88 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -82.77 177.73 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 1.5 m -135.6 119.81 17.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 10.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.92 79.14 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.5 -169.28 42.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 10.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.21 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.61 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.628 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.2 mm -40.79 103.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -119.7 139.06 52.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 pt-20 -105.22 59.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.68 57.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.91 109.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -91.72 139.68 30.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 10.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.404 ' C ' HG23 ' A' ' 94' ' ' VAL . 1.7 t 65.86 88.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 95' ' ' ARG . 2.0 t 61.09 -178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 85.6 mmt-85 43.88 83.19 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 10.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 111.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 10.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.27 30.45 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.49 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m 177.14 102.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.57 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.6 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.13 -84.56 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 10.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.54 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 108.79 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.31 41.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 10.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -84.82 66.2 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 10.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.874 ' HB3' HG12 ' A' ' 136' ' ' VAL . 21.2 mt -141.92 59.67 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.07 74.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.88 HG21 ' HB3' ' A' ' 81' ' ' ALA . 2.0 t 49.66 -143.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.561 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 77.02 -59.29 3.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 10.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.07 -68.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ALA . 3.2 m-20 176.8 33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 48.93 28.6 7.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 10.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -82.74 84.24 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 10.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.874 HG12 ' HB3' ' A' ' 128' ' ' LEU . 8.6 m -93.39 167.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.4 p-10 -165.88 110.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 138' ' ' VAL . 5.7 m -108.77 106.33 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.569 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -152.76 47.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.769 ' O ' HD21 ' A' ' 68' ' ' LEU . 3.8 mtt -84.4 124.98 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 10.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 140' ' ' MET . 23.0 t-20 -36.32 98.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.616 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -107.48 161.38 23.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 10.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.55 68.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.687 ' O ' ' CB ' ' A' ' 146' ' ' SER . 2.1 p -115.01 55.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.687 ' CB ' ' O ' ' A' ' 145' ' ' THR . 7.8 t 103.49 175.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 10.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.743 HD22 ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -76.27 56.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 154' ' ' ASN . 6.8 p-10 -79.61 7.53 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.6 pt -85.69 23.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.988 ' O ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -80.96 103.7 10.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 10.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.53 -92.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.0 -68.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.17 20.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.12 -131.19 3.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 10.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.5 p 172.66 138.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 10.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -154.42 176.87 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -112.26 135.83 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.94 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -104.53 114.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 185' ' ' VAL . 3.8 mp -90.58 118.69 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.773 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -174.77 178.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 109.575 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.7 OUTLIER 78.67 2.76 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 10.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 1.1 pt20 -84.08 176.89 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 171' ' ' ASP . . . -76.24 -30.21 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 179' ' ' ASN . 17.3 m-20 57.24 -89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 169' ' ' ALA . 59.1 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.665 ' HB3' HG21 ' A' ' 184' ' ' ILE . 2.3 m-20 -135.23 -142.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.743 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER 86.92 38.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 150.09 139.82 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 10.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.31 158.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 10.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -38.65 136.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.711 HD12 HG22 ' A' ' 185' ' ' VAL . 1.3 pp -139.58 -61.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 48' ' ' VAL . 4.3 m -126.25 104.54 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 10.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.43 137.12 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 108.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -98.64 -49.48 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 10.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.824 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 60.19 154.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 10.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 189' ' ' LEU . 11.8 mt 58.64 92.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 190' ' ' LEU . 4.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.07 108.29 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.03 171.15 44.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.88 -66.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 10.0 109.634 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 73.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 187' ' ' GLY . 1.4 p -116.67 110.19 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.16 98.68 8.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 10.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -83.66 87.33 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 53' ' ' LYS . 5.2 t -115.0 140.74 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' OD1' ' CD1' ' A' ' 83' ' ' LEU . 2.8 m-80 -97.46 -12.78 22.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.607 ' H ' HG12 ' A' ' 48' ' ' VAL . 2.3 ttt-85 82.09 21.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 10.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -115.91 -97.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 10.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.6 -67.96 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 10.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.7 tptt -174.28 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 10.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 170.63 159.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 77' ' ' LEU . 22.5 m -85.07 -35.23 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . 159.75 -118.99 0.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 10.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 26.2 t80 178.55 164.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 10.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.085 HG23 HD12 ' A' ' 72' ' ' ILE . 6.0 mm -94.02 77.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 92.26 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.913 HG23 HG21 ' A' ' 70' ' ' ILE . 7.3 mt -90.31 129.84 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 10.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -116.73 66.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 10.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -21.98 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -110.55 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.994 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.15 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -138.01 -85.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE1' ' ND2' ' A' ' 141' ' ' ASN . 9.3 mt-10 -150.97 147.44 27.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.799 ' C ' HD23 ' A' ' 68' ' ' LEU . . . 34.19 -108.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 10.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -141.18 106.72 5.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 0.761 . . . . 10.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.606 ' HA ' HG23 ' A' ' 139' ' ' ILE . 14.9 p-10 -106.39 41.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.913 HG21 HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -98.29 178.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 137' ' ' ASP . 0.3 OUTLIER -109.86 85.41 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 10.0 109.594 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.085 HD12 HG23 ' A' ' 58' ' ' ILE . 11.0 mm -87.42 76.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.704 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 1.5 p -116.04 157.53 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 161.9 70.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.509 ' N ' ' HB ' ' A' ' 55' ' ' VAL . 26.2 m-20 -161.4 -25.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.2 OUTLIER -70.35 63.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 10.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 55' ' ' VAL . 1.9 mt -59.14 -66.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.584 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -179.83 -59.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.671 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.02 -159.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.15 37.17 3.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 10.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 170' ' ' ASP . . . -80.39 177.17 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -91.04 122.16 33.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 10.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 mm? -121.64 70.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.63 127.4 42.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 10.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -165.83 156.24 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER 165.17 175.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.7 mm -115.11 106.25 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -149.56 169.07 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.72 111.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 10.0 110.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.525 ' NZ ' ' H ' ' A' ' 102' ' ' GLY . 5.0 tptp -150.72 -141.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.19 -171.56 31.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 10.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.468 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 7.2 t -93.11 130.93 38.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 10.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' C ' HG22 ' A' ' 94' ' ' VAL . 89.0 m -49.77 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 93' ' ' CYS . 5.0 m 41.25 55.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 45.97 95.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.07 -49.66 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 10.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 162.11 -60.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' ' NH2' ' A' ' 183' ' ' ARG . 22.7 t80 -176.07 -49.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 10.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.65 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.5 p -166.99 177.44 6.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 105' ' ' PHE . . . 56.0 102.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.525 ' H ' ' NZ ' ' A' ' 90' ' ' LYS . . . -85.1 -99.98 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 10.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.15 -58.23 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.67 14.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.773 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.44 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 10.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.825 . . . . 10.0 111.036 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.3 m-20 61.47 137.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER -93.68 158.53 36.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 10.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.604 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.5 Cg_endo -74.95 157.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 10.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -80.73 58.55 3.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD13 ' HE1' ' A' ' 85' ' ' PHE . 29.4 mt -119.85 78.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 10.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 2.1 pt-20 -113.97 78.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.8 t 40.01 -148.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 10.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.753 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 62.83 31.33 79.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.123 . . . . 10.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 93.88 -21.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.35 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 63.3 m-20 -50.49 -25.55 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.473 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -74.44 -28.36 63.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 10.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 132' ' ' ALA . 16.5 mmtt -82.18 58.08 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 1.3 t -114.83 164.02 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 10.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.913 ' HB2' HD11 ' A' ' 139' ' ' ILE . 2.9 p30 -141.99 138.25 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 1.008 ' O ' HD13 ' A' ' 139' ' ' ILE . 26.5 m -77.63 99.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -144.78 123.15 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 7.3 mtt -155.0 22.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.495 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 5.4 t-20 60.3 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.63 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -83.75 157.89 63.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 -41.61 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 143' ' ' PRO . 5.8 m-20 168.89 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 146' ' ' SER . 26.7 p -117.39 60.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.762 ' HB3' HD22 ' A' ' 68' ' ' LEU . 43.6 t 177.26 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 10.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 153' ' ' LEU . 11.2 mttt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 146' ' ' SER . 0.7 OUTLIER -39.86 -62.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 22.0 t-20 67.84 24.07 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.62 HG21 ' HA ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -114.38 -11.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.532 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -127.02 -168.03 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 10.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -155.42 168.95 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 10.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' ASP . 3.7 mt-10 36.48 -116.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -84.57 57.86 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 42.01 -101.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 10.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.983 ' O ' HD23 ' A' ' 190' ' ' LEU . 2.3 p 153.91 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 10.0 110.01 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.819 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.36 175.82 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 86' ' ' HIS . 3.2 m-85 -107.22 176.75 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.823 HG23 ' CB ' ' A' ' 186' ' ' CYS . 3.2 mp -136.63 130.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -85.74 101.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.893 ' HA ' HD11 ' A' ' 184' ' ' ILE . 2.9 p-80 -154.32 176.08 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 18.0 mt-10 84.35 -28.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 7.9 mm-40 -133.3 167.13 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 10.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 180' ' ' SER . . . -177.51 -167.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 0.1 OUTLIER 162.56 98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 10.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.7 t-20 39.23 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 10.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.632 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.5 p 155.66 67.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 10.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 175.36 38.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 10.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 49.36 175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 10.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.536 ' NH2' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER 66.42 61.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -114.01 -89.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -150.03 148.43 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.823 ' CB ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -136.17 168.45 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 108.241 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 45' ' ' VAL . . . -102.42 -74.69 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.819 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 69.98 148.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 10.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.5 mt 62.69 98.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 161' ' ' SER . 3.3 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -56.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 44' ' ' HIS . . . 147.99 -143.12 10.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 10.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLY . 2.5 m170 36.65 77.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 10.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 42' ' ' GLY . 1.8 p-80 -148.7 158.04 43.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 10.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.895 HG11 ' HA2' ' A' ' 187' ' ' GLY . 74.1 t -109.33 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.22 117.03 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 58' ' ' ILE . 5.8 mt -84.44 98.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.8 t -86.25 145.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.546 ' OD1' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -84.76 13.65 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.958 ' HB2' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER 66.69 -60.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 10.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mm-40 -80.36 -82.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -43.02 -69.63 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 10.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.91 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 ttmt 157.93 -43.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 10.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 162.53 147.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 77' ' ' LEU . 12.4 m -115.48 -18.16 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -148.45 -140.59 3.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 10.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 170.01 173.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.075 HG23 HG22 ' A' ' 72' ' ' ILE . 16.8 mm -93.89 141.22 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.92 117.92 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.916 ' HB ' HG22 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -99.12 120.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -160.07 62.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 10.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -38.68 157.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 10.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.63 -158.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 10.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.23 59.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.52 -81.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 10.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -134.61 152.68 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.86 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 10.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 68' ' ' LEU . 3.6 mp -82.97 88.67 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.693 ' C ' HD11 ' A' ' 147' ' ' LEU . 2.4 t70 -120.16 -170.22 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 10.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.946 HG23 HD13 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -82.89 171.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' OD2' ' A' ' 137' ' ' ASP . 7.9 t-80 -109.92 65.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.075 HG22 HG23 ' A' ' 58' ' ' ILE . 6.4 pt -87.15 124.48 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -155.02 71.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -40.54 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.1 t-20 -84.81 -163.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.793 ' HA ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -110.91 96.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 110.061 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.776 ' HA ' HG11 ' A' ' 55' ' ' VAL . 6.9 mp -45.74 -79.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.522 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.25 -55.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 41.21 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 10.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 27.51 43.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' N ' ' A' ' 169' ' ' ALA . . . -74.4 175.56 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 10.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.494 ' C ' HD13 ' A' ' 83' ' ' LEU . 33.1 m -102.2 127.64 49.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.916 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -115.83 61.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.365 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 98.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.416 1.072 . . . . 10.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.781 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.1 p90 -146.67 112.72 5.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.686 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 0.1 OUTLIER 160.03 98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.619 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 156' ' ' LEU . 0.7 OUTLIER 68.8 164.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 10.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -85.97 168.02 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 10.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.1 tt0 -133.27 -54.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -154.18 59.03 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.21 166.69 3.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 10.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.962 ' HB2' ' HB3' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -91.44 156.78 17.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 10.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 31.9 p -47.58 105.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 94' ' ' VAL . 37.2 t -134.0 81.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 60.32 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.78 . . . . 10.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -141.73 140.93 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 10.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 52.95 91.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 10.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.03 114.82 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 10.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.1 p -98.95 167.14 10.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 10.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.07 57.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 10.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.79 144.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 10.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.72 146.13 31.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 80.78 2.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 10.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.9 p30 -175.0 74.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -114.1 97.12 44.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.08 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 10.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -95.49 74.02 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.55 59.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 10.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -97.07 59.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 10.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 76' ' ' SER . 1.9 t 38.33 -142.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 10.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.509 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.79 -55.62 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 10.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -83.49 -63.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 10.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 158.62 40.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 37.4 29.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 10.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -83.68 70.33 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 10.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -122.54 93.03 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 10.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.579 ' OD2' ' CD2' ' A' ' 71' ' ' HIS . 9.3 p30 -113.44 112.29 23.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 138' ' ' VAL . 6.5 m -86.55 117.25 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.437 HD13 ' C ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -146.67 20.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 10.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 8.4 ptp -150.4 -169.68 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 45.02 29.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.541 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -121.75 152.9 59.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -175.09 75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.541 HG23 ' HB1' ' A' ' 142' ' ' ALA . 2.3 p -91.92 64.67 4.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 p -91.57 112.92 25.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 10.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.946 HD13 HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.3 pp -77.69 55.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.29 8.51 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.433 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -103.09 -16.73 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.776 ' H ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -121.24 -163.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 4.7 t70 -103.2 126.25 50.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.5 OUTLIER -35.43 -56.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.91 48.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -173.03 106.41 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 10.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -129.75 7.75 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 187' ' ' GLY . . . -143.06 174.55 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 10.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.686 ' CE2' ' O ' ' A' ' 86' ' ' HIS . 3.0 m-85 -97.77 178.41 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.567 HG23 ' ND1' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -91.82 132.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -104.03 69.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.67 ' CD2' ' O ' ' A' ' 185' ' ' VAL . 10.3 m170 -131.3 178.07 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 10.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER 78.46 -24.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 10.0 110.343 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.767 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 4.1 mt-30 -139.52 177.07 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 10.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 91.98 134.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -139.51 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.412 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.004 -0.839 . . . . 10.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 170' ' ' ASP . 3.0 t-20 -71.38 -143.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.0 p 77.96 47.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.5 46.33 1.19 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 10.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 57.51 163.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 10.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.23 77.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 110.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 1.064 HG22 HG12 ' A' ' 185' ' ' VAL . 3.3 mp -124.25 -105.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 10.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 1.064 HG12 HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -110.76 146.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 134.16 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.895 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -132.72 111.27 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 10.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 92' ' ' SER . . . -170.97 60.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 10.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 31.6 mt -148.39 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 161' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HB1' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 61' ' ' LYS . 2.0 m-85 -68.9 77.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 52.81 106.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 10.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 20.0 p80 -175.52 168.6 3.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 10.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.17 68.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 10.0 109.548 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 47' ' ' LEU . 35.8 t -139.64 89.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 10.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.527 ' C ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -103.17 120.74 41.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 10.0 110.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.876 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -112.95 96.25 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 53' ' ' LYS . 26.7 t -123.86 115.35 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.685 HD22 HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -103.81 176.6 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 179' ' ' ASN . 11.1 mtt180 -91.2 53.78 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CG ' ' OD1' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -138.48 -91.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.62 -74.52 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 10.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 48' ' ' VAL . 8.7 tptt -177.47 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 10.0 109.321 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -170.36 148.81 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 78' ' ' ARG . 27.5 m -106.13 17.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.777 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 153.89 -146.88 15.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.11 . . . . 10.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.2 OUTLIER 157.27 176.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 10.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.643 HG23 ' CD1' ' A' ' 72' ' ' ILE . 19.2 mm -115.84 116.39 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -151.35 58.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 10.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.959 HG21 ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -87.28 177.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -122.99 58.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.824 ' HB3' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -38.09 109.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 10.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -53.61 -97.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 174.8 62.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 -83.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 68' ' ' LEU . 12.9 mt-10 -129.14 -159.97 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -49.91 88.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.142 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 66' ' ' GLU . 1.2 mm? -116.56 107.18 14.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.959 ' HB3' HG21 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -156.12 84.45 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 10.0 109.238 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.009 ' O ' HD12 ' A' ' 70' ' ' ILE . 1.6 pp -97.5 59.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.655 ' C ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER 178.23 52.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 10.0 109.589 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 72' ' ' ILE . 40.0 mm -102.56 59.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -80.02 69.4 6.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 10.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.38 84.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 15.1 m120 -153.55 -42.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 10.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.624 ' CB ' HD23 ' A' ' 83' ' ' LEU . 60.8 p 173.16 80.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 10.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.835 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -88.54 -28.47 20.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 10.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.762 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.83 152.07 7.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 10.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.02 135.07 18.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 10.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.01 70.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 171' ' ' ASP . . . -144.17 166.17 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 1.047 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.0 m -110.47 127.54 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.047 HD13 ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -140.22 97.16 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.39 148.21 26.12 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 10.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.498 ' C ' ' CG ' ' A' ' 86' ' ' HIS . 7.3 t80 -162.47 123.26 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 10.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CG ' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 165.17 117.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 10.0 109.628 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mm -50.72 101.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.98 174.07 15.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 10.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.93 -176.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -111.68 92.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 57.58 116.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 10.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.626 ' OG ' HG22 ' A' ' 164' ' ' ILE . 1.7 t -89.06 122.98 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.633 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 71.5 m 66.24 155.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 10.0 108.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' CYS . 55.7 t 61.49 122.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.254 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 60.73 108.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.46 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER 65.24 173.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -169.29 89.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.42 -63.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 t -173.7 78.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 10.0 109.935 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 87.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.5 -150.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 10.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.85 -119.07 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.59 5.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 10.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 10.0 111.013 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.52 148.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.62 HD11 ' OE1' ' A' ' 129' ' ' GLU . 2.1 pp -89.57 156.84 47.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.559 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 169.58 22.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 10.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -74.73 63.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.43 HD13 ' ND2' ' A' ' 75' ' ' ASN . 40.6 mt -138.72 68.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.716 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.6 OUTLIER -157.45 74.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.813 HG13 ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -179.48 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 11.88 -120.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -97.55 17.24 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 10.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.813 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -59.07 -16.42 18.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -99.07 0.29 57.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 10.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 132' ' ' ALA . 2.2 mttt -84.56 89.45 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.497 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -115.45 124.09 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 138' ' ' VAL . 9.1 p-10 -121.05 68.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 137' ' ' ASP . 27.0 m -157.82 167.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -149.17 169.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -155.97 112.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 140' ' ' MET . 13.7 t-20 53.79 103.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.969 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -155.91 133.03 6.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 10.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.99 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 10.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 147' ' ' LEU . 4.1 m-20 -174.68 72.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.969 HG23 ' HB1' ' A' ' 142' ' ' ALA . 41.9 p -57.06 85.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 10.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' ASP . 0.3 OUTLIER 60.82 12.76 3.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 10.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' A' ' 62' ' ' GLU . 9.1 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 153' ' ' LEU . 7.1 mtmm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 1.062 HD12 HD21 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -35.35 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 7.6 t-20 83.07 29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.749 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -97.57 -15.27 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -83.85 -169.0 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.55 43.44 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.32 4.86 4.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.74 -34.15 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 69.05 142.73 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 10.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.53 137.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 10.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.474 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -125.65 170.1 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 10.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 1.161 ' CE2' HD11 ' A' ' 165' ' ' ILE . 1.7 p90 -87.56 125.77 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 10.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.819 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -108.22 134.25 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.161 HD11 ' CE2' ' A' ' 163' ' ' PHE . 2.1 mp -111.54 176.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 10.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.695 ' H ' HG22 ' A' ' 165' ' ' ILE . 2.8 t-80 94.79 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 180' ' ' SER . 1.4 tt0 60.41 4.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 166' ' ' HIS . 50.1 mm-40 -92.92 175.56 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . -110.86 150.53 29.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.8 t0 83.86 115.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.463 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.456 ' CB ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 m-80 -113.32 57.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLU . 87.5 p -119.8 81.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.513 ' H ' ' CE1' ' A' ' 166' ' ' HIS . . . -98.04 -86.54 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -179.29 111.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 10.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER 32.33 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 182' ' ' ALA . 1.0 OUTLIER -116.85 -59.9 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.4 p -90.49 107.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.413 ' SG ' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -150.91 140.85 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 10.0 108.258 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -85.21 -39.27 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 10.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 67.36 119.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.8 OUTLIER -155.46 59.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 10.0 109.339 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -47.19 -55.63 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 10.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.63 -128.92 1.03 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 10.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.41 ' C ' ' CG ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -56.2 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 10.0 109.596 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 171.41 159.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 10.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 188' ' ' ALA . 14.2 m -83.73 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -55.28 140.22 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 10.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.11 71.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 10.0 109.274 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 53' ' ' LYS . 1.4 t -81.49 127.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 10.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.696 HD21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.08 153.19 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.54 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HG3' ' CA ' ' A' ' 178' ' ' GLY . 2.8 mm-40 -110.18 -53.41 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 10.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.594 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -35.27 -40.62 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.912 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 87.71 -29.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.632 ' O ' HD21 ' A' ' 77' ' ' LEU . . . 169.11 146.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.76 HG12 ' HG ' ' A' ' 77' ' ' LEU . 20.6 m -112.85 9.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 10.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.777 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 140.98 -119.27 1.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 10.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.43 157.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 10.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.683 HG23 ' HB ' ' A' ' 72' ' ' ILE . 13.8 mm -109.25 92.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 79.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.867 HG22 HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -84.78 141.82 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -117.03 59.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 10.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.2 mm-40 -2.7 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 p -83.22 175.88 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.54 75.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.54 -80.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.1 tt0 -155.5 160.16 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.963 ' O ' HD23 ' A' ' 68' ' ' LEU . . . 39.85 -97.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 10.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -149.19 159.8 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.86 ' HA ' HG23 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -157.71 28.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 10.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -87.62 177.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -122.16 73.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -94.41 112.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.722 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -157.47 164.9 36.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 110.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.777 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . 86.2 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 25.2 m-20 -128.83 -22.66 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 83' ' ' LEU . 4.8 t -109.34 123.76 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.76 ' HG ' HG12 ' A' ' 55' ' ' VAL . 3.7 mt -53.47 -48.68 68.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.3 mtp180 156.53 -46.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.02 125.28 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 10.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . -24.91 93.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 10.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' O ' ' CA ' ' A' ' 129' ' ' GLU . . . -113.79 169.17 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.763 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 1.6 m -118.81 96.12 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 10.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.682 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -105.77 100.62 10.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 10.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.31 53.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 10.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 p90 -135.96 126.65 27.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 10.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 165.73 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.514 ' HA ' HD13 ' A' ' 87' ' ' ILE . 5.9 mm -39.55 155.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.67 171.55 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -108.63 -63.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -137.58 147.42 45.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 60.2 127.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 10.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 189' ' ' LEU . 1.7 m -102.27 46.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 10.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.6 m 65.07 63.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 108.346 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.5 t -127.97 128.5 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 66.85 89.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.41 2.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 10.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 -64.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -161.42 73.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.0 74.36 3.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 10.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -100.36 76.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 109.932 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.54 -68.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.44 96.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 10.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.35 115.67 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 105' ' ' PHE . 18.2 Cg_endo -75.0 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 104' ' ' PRO . 2.7 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 10.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 78.47 175.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 10.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.55 108.59 48.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.367 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 124' ' ' ASP . 18.1 Cg_endo -75.05 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 10.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.4 ' O ' HD12 ' A' ' 128' ' ' LEU . 6.1 m-20 -85.15 169.93 13.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 68.74 63.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.581 ' C ' HG12 ' A' ' 130' ' ' VAL . 2.6 pt-20 -148.79 58.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 10.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.581 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -176.8 165.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.726 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . -56.58 -148.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 10.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 87.35 -11.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER 77.42 38.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.76 93.42 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.57 59.44 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 10.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -118.99 159.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 136' ' ' VAL . 0.6 OUTLIER 172.03 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 10.0 109.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.577 ' O ' HD13 ' A' ' 139' ' ' ILE . 0.8 OUTLIER -136.18 113.24 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.2 mm -113.86 -110.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 10.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.569 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -82.74 -149.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 140' ' ' MET . 55.4 t30 66.35 29.29 9.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.501 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -131.96 139.34 34.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 10.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 t70 176.11 74.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 10.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.869 ' OG1' HD21 ' A' ' 68' ' ' LEU . 43.7 p -112.93 55.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.79 ' HB2' HD23 ' A' ' 153' ' ' LEU . 5.2 p 86.99 -159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.858 HD12 HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.581 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.21 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -109.85 22.68 15.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 10.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.643 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -113.51 -33.12 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 10.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -86.13 -159.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.79 149.12 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.7 OUTLIER -32.54 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 10.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -86.9 -50.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 190' ' ' LEU . . . 130.87 -87.15 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.1 p 87.01 170.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 10.0 109.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HG11 ' A' ' 45' ' ' VAL . . . -141.5 179.54 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -82.23 167.08 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.545 HG22 ' HB2' ' A' ' 186' ' ' CYS . 3.1 pt -121.65 145.73 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 185' ' ' VAL . 4.8 mp -98.58 98.42 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 182' ' ' ALA . 18.8 p-80 -116.29 175.45 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 43.86 26.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.562 ' NE2' ' CD1' ' A' ' 184' ' ' ILE . 0.1 OUTLIER -83.96 176.0 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -110.77 168.94 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -77.13 -152.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 10.0 109.334 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.472 ' CA ' ' HG3' ' A' ' 51' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -172.12 119.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 72.4 p -174.36 36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -168.58 118.16 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 166' ' ' HIS . . . -38.98 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER 82.91 60.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.271 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG12 HG12 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -131.51 -40.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.686 HG22 HD13 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -139.13 125.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.545 ' HB2' HG22 ' A' ' 164' ' ' ILE . 19.7 p -147.98 152.17 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 162' ' ' ALA . . . -129.72 154.43 20.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 10.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.762 ' O ' HG12 ' A' ' 45' ' ' VAL . . . -179.89 176.54 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 10.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 92' ' ' SER . 0.1 OUTLIER 64.52 81.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 160' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -127.6 149.38 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.28 158.25 33.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 10.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.521 ' O ' HG21 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -43.55 152.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 10.0 109.553 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.84 130.59 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.569 ' CG1' ' HB1' ' A' ' 162' ' ' ALA . 2.7 t -137.69 60.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 10.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.84 140.23 57.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.32 111.1 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 185' ' ' VAL . 1.9 t -124.94 100.73 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.566 HD22 HG22 ' A' ' 165' ' ' ILE . 12.0 m120 -83.02 139.02 33.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.564 ' HB2' HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -72.61 52.67 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 167' ' ' GLU . 10.5 mt-10 -134.4 -71.9 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 10.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.59 -83.77 1.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 10.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.3 tttp -175.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 10.0 109.296 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -146.69 166.85 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG22 HD23 ' A' ' 47' ' ' LEU . 6.3 m -155.1 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 74' ' ' ALA . . . 142.65 -155.72 25.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' C ' HD13 ' A' ' 58' ' ' ILE . 2.3 p90 175.86 175.62 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 43' ' ' HIS . 8.1 mm -103.25 116.81 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 72' ' ' ILE . 49.8 mt-10 -156.09 58.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 72' ' ' ILE . 10.2 pt -84.45 154.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.74 76.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 10.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.609 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -19.47 119.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.162 . . . . 10.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.545 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -102.67 179.72 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 10.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.44 71.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 10.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.97 -73.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -154.58 143.72 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 39.32 -152.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.639 HD13 ' CB ' ' A' ' 145' ' ' THR . 0.9 OUTLIER -87.51 115.86 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 10.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.545 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -115.17 36.24 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 10.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.1 pp -82.39 -179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CE1' ' OD2' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -130.1 85.81 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -135.4 123.72 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -133.75 115.41 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 85' ' ' PHE . . . -66.25 82.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.759 ' HA ' HD11 ' A' ' 77' ' ' LEU . 21.7 p-10 -113.33 -154.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 64.12 55.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.759 HD11 ' HA ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -128.48 -153.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 164.13 -52.64 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 10.0 110.254 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.0 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 10.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 15.82 62.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 10.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.614 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -90.62 157.94 17.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 10.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.73 ' C ' HD13 ' A' ' 83' ' ' LEU . 7.9 m -84.46 114.84 22.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -104.0 83.19 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -32.69 -75.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 48.21 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 10.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.77 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.55 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.613 HD11 HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -51.25 132.55 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 10.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -155.42 148.15 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 10.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' TYR . 7.4 pt-20 -30.67 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 164' ' ' ILE . 13.5 mttt -100.49 118.37 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 162' ' ' ALA . . . -147.22 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -80.48 82.74 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 10.0 109.957 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -42.61 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 108.292 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 94' ' ' VAL . 81.2 t 48.41 73.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 63.01 82.83 0.21 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 10.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 10.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.19 121.01 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 55.16 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.03 138.94 58.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 10.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.79 91.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 10.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.55 -70.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.43 -97.61 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 10.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.47 -146.53 18.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 10.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.989 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -75.55 128.36 35.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -84.43 -58.78 0.36 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.07 173.65 14.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 10.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -107.53 76.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.023 HD22 HG21 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -139.94 61.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 10.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.3 mm-40 -84.25 58.47 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 10.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 35.39 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.419 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.55 -38.14 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 10.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -108.35 11.95 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 10.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 73.53 28.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 10.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 74' ' ' ALA . . . 54.28 50.39 56.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.79 85.64 7.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 10.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 1.023 HG21 HD22 ' A' ' 128' ' ' LEU . 4.9 m -144.95 94.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.865 ' O ' HG22 ' A' ' 138' ' ' VAL . 25.6 p-10 -116.32 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 137' ' ' ASP . 6.3 m 54.04 159.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.528 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.6 147.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -125.12 144.6 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 140' ' ' MET . 7.9 t30 78.83 91.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.434 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -132.44 153.96 81.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 10.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -179.53 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.686 HG22 HD13 ' A' ' 155' ' ' ILE . 17.3 p -84.89 79.25 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.9 104.13 16.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 10.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.61 ' HG3' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.892 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.37 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.792 ' C ' HD13 ' A' ' 156' ' ' LEU . 2.3 t30 -77.1 0.79 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 145' ' ' THR . 4.8 pt -85.62 59.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -119.55 55.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -151.35 76.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.4 tt0 86.51 -36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 10.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -83.96 -41.66 17.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 10.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -60.19 -145.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 10.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.481 ' C ' ' HG ' ' A' ' 189' ' ' LEU . 3.6 m 79.57 163.86 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 10.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.637 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -82.75 176.72 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 87' ' ' ILE . 22.4 m-85 -87.04 146.88 25.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 13.6 mt -93.86 126.99 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 49' ' ' ASN . 0.1 OUTLIER -133.07 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.613 ' CE1' ' HG3' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -167.73 149.4 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 10.0 109.582 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 1.028 ' CG ' ' HB3' ' A' ' 182' ' ' ALA . 2.6 pt-20 -68.93 56.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.613 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 2.6 mm-40 -84.59 179.49 7.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 81' ' ' ALA . . . 68.03 127.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.53 136.79 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.433 ' HB2' ' ND2' ' A' ' 179' ' ' ASN . 7.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 10.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -163.67 119.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.5 p -179.43 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 10.0 110.069 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -169.08 111.25 0.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 10.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 1.028 ' HB3' ' CG ' ' A' ' 167' ' ' GLU . . . -170.18 114.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.0 OUTLIER -86.99 80.52 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.248 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 50' ' ' ARG . 2.8 pp -130.06 0.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.83 102.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -155.07 137.76 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 108.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -93.93 -142.12 11.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -165.52 104.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 10.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -137.28 99.8 4.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 10.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.692 ' CD1' HD13 ' A' ' 153' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.548 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 23.8 m-85 -148.71 104.06 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 164.98 -124.71 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CD2' ' HB3' ' A' ' 190' ' ' LEU . 30.3 m170 -52.83 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 10.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 74.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.595 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 ' C ' ' A' ' 187' ' ' GLY . 2.2 t -135.34 87.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.17 97.58 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 10.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.46 84.53 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 53' ' ' LYS . 2.4 t -126.32 110.37 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.71 ' ND2' HG11 ' A' ' 55' ' ' VAL . 2.1 m-80 -81.8 162.18 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.44 33.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.37 -85.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.91 -75.73 0.74 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.2 tptt -176.21 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . -149.5 169.15 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' ND2' ' A' ' 49' ' ' ASN . 25.1 m -146.0 10.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 47' ' ' LEU . . . 133.35 171.02 12.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -165.58 175.5 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -120.67 133.26 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 71.5 mt-10 -155.62 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.801 ' CG1' HD21 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -88.5 155.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 10.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.7 54.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 10.0 109.297 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' H ' HD22 ' A' ' 147' ' ' LEU . 14.3 mt-10 -145.13 -120.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 10.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.529 ' C ' HD22 ' A' ' 68' ' ' LEU . 13.2 t 63.43 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER 76.33 -56.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 10.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.0 -45.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 63' ' ' SER . 7.5 pt-20 -124.96 -156.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.923 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -86.63 103.87 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 10.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD22 ' C ' ' A' ' 63' ' ' SER . 1.7 mp -94.0 -113.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -140.79 90.53 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.585 HD12 ' CD1' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -84.51 173.5 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.71 89.11 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.6 pp -138.39 72.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.88 81.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 10.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . . . -60.23 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -82.54 128.54 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 4.5 m -113.94 53.79 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -35.8 -37.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -44.77 127.65 5.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.3 Cg_endo -75.04 133.25 16.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.77 64.69 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.42 1.075 . . . . 10.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 78' ' ' ARG . . . -117.05 176.23 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 10.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.83 ' H ' ' HB2' ' A' ' 169' ' ' ALA . 3.7 m -127.71 116.83 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 1.5 mm? -110.38 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -39.26 160.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 10.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.661 ' CD2' ' CE2' ' A' ' 163' ' ' PHE . 43.7 t80 -169.73 104.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 10.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ILE . 3.0 t-160 -176.2 111.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.2 tp -40.01 147.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 173.61 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 10.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' HB2' ' HZ1' ' A' ' 90' ' ' LYS . 34.9 mm-40 -101.73 50.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HZ1' ' HB2' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -139.45 158.07 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 10.0 109.234 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.2 -127.45 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 10.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.863 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 8.5 t -84.62 64.19 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 10.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 40.28 81.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 10.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.8 161.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 10.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 60.99 150.8 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 16.3 p-10 177.22 128.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER 178.32 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.008 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.7 168.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.81 110.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.94 -69.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.56 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 10.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.62 158.47 15.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 10.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -166.4 155.83 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 10.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.418 ' N ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -151.42 64.32 5.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.04 156.79 42.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 10.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -76.19 58.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.4 mt -151.16 59.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 130' ' ' VAL . 4.6 pt-20 -155.51 62.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -171.07 163.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.503 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.27 42.36 3.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 10.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.604 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -73.42 -59.35 2.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.604 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 6.0 p-10 147.72 -11.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 75' ' ' ASN . . . 80.58 66.46 1.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.475 ' CG ' ' OD1' ' A' ' 133' ' ' ASP . 0.3 OUTLIER -85.95 58.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 10.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.8 t -130.99 90.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.725 ' C ' HG23 ' A' ' 138' ' ' VAL . 8.3 p-10 -158.74 176.35 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER 61.15 138.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.585 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -108.44 166.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 10.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 17.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.0 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.923 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -85.93 124.47 70.66 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 10.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -168.93 65.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 10.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.3 p -71.1 88.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.544 ' O ' ' C ' ' A' ' 147' ' ' LEU . 59.9 p 60.28 -144.11 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.801 HD21 ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 10.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.693 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.1 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.94 HD13 ' CD2' ' A' ' 190' ' ' LEU . 0.2 OUTLIER 9.45 72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 152' ' ' LYS . 34.3 t30 -97.96 50.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 10.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.459 ' O ' HD12 ' A' ' 155' ' ' ILE . 1.5 pp -106.15 -6.26 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.687 HD12 ' H ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -127.67 -76.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.687 ' H ' HD12 ' A' ' 156' ' ' LEU . 4.0 m-20 -146.36 160.71 41.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 10.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -22.32 64.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -45.66 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 147.31 176.55 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.9 p 160.55 149.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 10.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.79 175.38 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.661 ' CE2' ' CD2' ' A' ' 85' ' ' PHE . 15.7 p90 -105.59 166.69 10.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 10.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -116.68 134.36 60.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -102.57 112.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -175.33 174.33 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.553 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.449 ' CA ' ' HA ' ' A' ' 180' ' ' SER . 2.8 mt-10 60.52 12.07 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 10.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -128.32 162.11 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 10.0 110.313 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 76.58 -177.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 178.06 127.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.016 -0.834 . . . . 10.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.99 -45.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 10.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.449 ' HA ' ' CA ' ' A' ' 167' ' ' GLU . 46.1 p -89.78 37.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -126.47 90.13 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 10.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 66.38 174.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 10.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.5 OUTLIER -55.22 122.42 11.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 10.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 182' ' ' ALA . 0.8 OUTLIER -119.03 -55.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 184' ' ' ILE . 3.1 p -134.8 149.71 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 16.6 t -155.89 134.12 11.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.753 ' C ' HG22 ' A' ' 45' ' ' VAL . . . -72.94 -76.0 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.863 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 67.71 137.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 10.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 190' ' ' LEU . 8.6 mt 69.4 100.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.94 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 10.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.46 -40.05 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.38 75.69 0.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.9 m80 53.07 -173.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 10.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -168.88 122.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.4 p -96.82 60.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 45' ' ' VAL . 15.8 pt20 -27.5 133.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.59 102.26 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 53' ' ' LYS . 3.4 t -111.67 135.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -113.66 167.87 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -91.28 26.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.566 ' HB3' HH21 ' A' ' 78' ' ' ARG . 4.3 mm-40 -118.96 -80.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 10.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 -79.93 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 10.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 48' ' ' VAL . 5.6 tptm -176.41 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -159.54 172.12 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.797 ' HB ' HD21 ' A' ' 83' ' ' LEU . 1.8 m -128.16 3.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.776 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 138.32 -117.62 1.47 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 167.55 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 10.0 110.965 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.561 HD13 ' C ' ' A' ' 57' ' ' PHE . 3.0 mm -107.86 97.9 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -156.13 79.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 110.255 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.915 HD13 HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -85.17 161.02 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -93.61 -174.16 3.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 3.3 mt-10 -88.78 115.18 26.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 10.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 87.4 p -83.07 -47.59 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 110.055 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 76.56 34.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -52.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.84 -164.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.26 -92.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.999 HD13 HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -88.83 -167.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 10.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 15.4 t0 -136.44 -146.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.068 ' CD1' HG13 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -101.72 111.46 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 10.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 1.7 m170 158.54 55.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.585 ' CG1' HG23 ' A' ' 60' ' ' ILE . 1.4 pp -153.93 68.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 m -86.69 58.71 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -117.18 91.34 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 1.051 ' O ' HD22 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -116.6 -48.47 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.928 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 10.6 p 159.34 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 110.045 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -46.35 -24.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 10.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.679 HH21 ' HB3' ' A' ' 171' ' ' ASP . 12.8 mtp-105 -79.79 163.32 58.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.0 142.62 28.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 10.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.04 75.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 76' ' ' SER . . . -114.36 176.24 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.523 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 4.3 m -149.68 97.96 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.051 HD22 ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -94.39 113.31 25.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.24 104.21 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -124.25 164.12 20.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 10.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 172.88 71.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 10.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mm 64.8 148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.357 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -152.13 175.51 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.53 71.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 10.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.85 144.96 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 10.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.624 ' OG ' HG13 ' A' ' 94' ' ' VAL . 1.1 p -84.67 133.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.1 65.97 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 188' ' ' ALA . 3.4 m -117.67 -8.93 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 169.39 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 10.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.1 Cg_endo -74.99 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 69.39 -62.22 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.7 OUTLIER 45.78 52.75 9.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 10.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -42.39 136.39 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 10.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 -50.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 10.0 109.939 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.63 -72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.37 147.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.501 1.126 . . . . 10.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 104' ' ' PRO . . . 123.77 136.37 4.71 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 103' ' ' GLY . 18.3 Cg_endo -74.94 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 10.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -161.29 151.21 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 10.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 69.66 15.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.496 ' HB2' HD11 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 169.8 21.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 10.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.52 72.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 10.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.53 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.2 OUTLIER -160.0 64.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 10.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -149.26 69.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.4 OUTLIER -173.1 166.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.79 34.18 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 10.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -58.16 -41.11 83.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.736 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 5.3 m-20 150.3 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.444 ' HA2' ' ND2' ' A' ' 75' ' ' ASN . . . 86.76 44.9 5.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.15 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -111.83 106.59 15.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 10.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.516 ' CG1' ' HB2' ' A' ' 75' ' ' ASN . 3.7 m -151.66 76.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.737 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.4 OUTLIER -95.64 176.31 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 10.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 1.068 HG13 ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 65.25 160.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.999 HG21 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -136.03 153.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.62 109.86 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.9 t30 51.44 96.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 10.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.58 161.04 55.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 145' ' ' THR . 18.1 Cg_endo -75.03 -67.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 10.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -166.07 41.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.894 ' O ' HD23 ' A' ' 147' ' ' LEU . 25.1 p -92.07 69.61 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.69 79.79 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 154' ' ' ASN . 0.1 OUTLIER -94.57 -106.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 14.8 t-20 167.17 -30.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.7 pt -91.33 50.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.7 pp -86.16 101.06 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 173.85 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -38.06 -59.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 -52.04 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.22 -121.7 1.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 10.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 190' ' ' LEU . 12.8 t 172.9 157.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.615 ' HB1' ' N ' ' A' ' 188' ' ' ALA . . . -155.82 154.82 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 10.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.24 106.26 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -84.4 123.62 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.747 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.0 mp -108.47 155.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -174.75 174.72 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.38 3.51 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.643 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -84.35 173.51 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 10.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.87 -164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.679 ' HB3' HH21 ' A' ' 78' ' ' ARG . 5.0 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -109.75 -146.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 10.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 168' ' ' GLN . 48.2 t 178.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.963 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 176.02 -130.82 1.76 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 10.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 56.34 165.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.44 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 10.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 181' ' ' GLY . 1.0 OUTLIER -107.42 -63.8 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.747 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.5 p -96.51 126.47 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.79 137.68 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 10.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.62 ' CA ' HG22 ' A' ' 45' ' ' VAL . . . -52.09 -55.29 22.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 10.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 94' ' ' VAL . . . 67.71 106.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 10.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.9 mt 59.88 120.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 190' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' A' ' 59' ' ' GLU . 2.1 p90 -33.64 -40.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 110.71 -129.23 9.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 10.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . 21.7 m80 -51.58 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 169.51 166.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 10.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG12 ' CD2' ' A' ' 47' ' ' LEU . 3.6 t -88.53 93.62 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -67.21 74.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.626 ' CD2' HG12 ' A' ' 45' ' ' VAL . 7.2 mt -85.39 95.34 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 10.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.008 HG13 ' HB2' ' A' ' 54' ' ' ALA . 23.5 t -116.04 125.75 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.832 ' OD1' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -85.06 115.8 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 4.8 tpt180 37.36 -105.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 10.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 7.1 mt-10 -143.13 6.07 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 10.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -44.95 -48.64 9.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.167 . . . . 10.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 170.87 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 10.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.008 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . 74.64 116.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -126.87 22.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 10.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' HB1' ' A' ' 74' ' ' ALA . . . -118.5 108.69 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -165.47 158.44 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' H ' ' A' ' 45' ' ' VAL . 3.9 mt -124.02 95.73 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.4 mt-10 -119.52 74.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 HG23 ' A' ' 72' ' ' ILE . 1.8 pp -122.98 170.95 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 10.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.777 ' H ' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -144.4 87.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -33.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -86.4 -95.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.71 -32.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 11.9 p-10 -84.14 -136.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -83.95 144.76 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.299 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 147' ' ' LEU . . . 35.82 -151.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 10.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.85 HD22 ' CG1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -154.85 -168.11 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.741 . . . . 10.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.932 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.1 m-20 -139.89 24.32 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 10.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.85 ' CG1' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.38 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 137' ' ' ASP . 0.4 OUTLIER -118.44 78.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.576 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.919 HG23 HG21 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -81.99 99.39 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -156.06 169.2 25.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' HB1' ' HA2' ' A' ' 56' ' ' GLY . . . -165.57 55.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 76' ' ' SER . 9.2 m-80 -158.68 170.14 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 10.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.8 p 93.05 58.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 10.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.853 HD12 HD11 ' A' ' 83' ' ' LEU . 1.6 mt -60.16 -71.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.0 ttm180 158.14 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -75.01 47.66 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 10.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.45 86.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 170' ' ' ASP . . . -127.33 175.09 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 10.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.764 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.4 m -95.45 137.23 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.59 86.71 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.688 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -61.14 139.33 47.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 10.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.69 120.68 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 10.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.3 130.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 10.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.551 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.0 OUTLIER -109.96 79.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -149.0 91.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 10.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE2' ' HB3' ' A' ' 162' ' ' ALA . 1.7 pp20? -176.04 175.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 10.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -136.45 111.22 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 10.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.97 111.44 1.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 10.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . 15.2 p -85.53 156.07 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 10.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.28 131.74 47.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.69 -19.38 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 170.75 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.03 -88.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 10.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 2.5 t70 77.64 97.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 10.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -130.52 -47.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 10.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.74 -40.43 95.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.36 -61.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 10.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 41.42 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.33 -115.73 2.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.69 -149.38 43.22 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -176.98 3.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 10.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.2 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 110.982 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.016 -0.834 . . . . 10.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -168.27 133.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 10.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.31 87.35 7.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 10.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.505 ' O ' HD23 ' A' ' 128' ' ' LEU . 55.1 m-20 -73.02 59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 127' ' ' ASN . 5.2 mt -144.07 69.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.772 ' C ' HG12 ' A' ' 130' ' ' VAL . 6.2 pt-20 -150.86 59.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.772 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 168.91 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 10.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -58.19 151.36 31.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 69.66 -55.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.581 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.4 m-20 -53.29 -21.08 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -102.66 -5.35 48.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 10.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -82.73 80.3 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 10.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.401 ' C ' ' CG ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -106.46 172.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 165.42 112.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.622 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.6 m -83.61 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.932 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.9 mm -115.31 -116.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.56 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -82.16 179.64 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 60.25 22.63 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.27 145.93 46.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 10.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 10.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 168.36 69.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.583 ' N ' HD22 ' A' ' 147' ' ' LEU . 1.6 p -88.65 69.86 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 10.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.65 ' HB2' HD23 ' A' ' 153' ' ' LEU . 1.5 p 91.88 -9.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.846 HD11 ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 33.36 84.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.365 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -89.57 19.2 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 10.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -105.78 -22.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.66 HD22 ' OG ' ' A' ' 161' ' ' SER . 4.1 pp -107.16 -156.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 159' ' ' ASP . 93.0 m-20 -85.97 69.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 65.93 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.8 m-20 -152.13 27.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -125.41 124.1 5.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.66 ' OG ' HD22 ' A' ' 156' ' ' LEU . 35.8 p -171.84 136.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 10.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.584 ' HB3' ' OE2' ' A' ' 89' ' ' GLU . . . -155.71 120.07 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 10.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.551 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 3.8 m-85 -87.48 148.03 25.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.77 100.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.688 HG23 ' N ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -92.34 137.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 10.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.42 ' HB2' ' N ' ' A' ' 183' ' ' ARG . 0.1 OUTLIER -177.32 175.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 109.609 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.11 4.36 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 175.37 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -151.48 142.97 23.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -154.88 -56.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.43 ' HB3' ' ND2' ' A' ' 179' ' ' ASN . 8.2 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 171' ' ' ASP . 3.5 p30 -72.74 -5.81 40.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 10.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.464 ' CA ' HD12 ' A' ' 184' ' ' ILE . 1.7 m -117.0 77.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -92.39 64.03 2.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.128 . . . . 10.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 58.54 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.42 ' N ' ' HB2' ' A' ' 166' ' ' HIS . 35.9 mtm180 41.01 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.464 HD12 ' CA ' ' A' ' 180' ' ' SER . 0.0 OUTLIER -136.89 -49.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 49' ' ' ASN . 4.0 t -101.72 118.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 6.1 t -155.95 133.95 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 10.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.516 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -104.02 -146.02 15.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 92' ' ' SER . . . -171.49 104.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 10.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.5 mt 69.83 139.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 10.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.61 158.33 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.31 107.7 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 10.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 1.8 p-80 -161.66 147.06 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 10.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -130.98 59.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 187' ' ' GLY . 59.2 t -134.8 65.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.61 131.55 34.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.78 89.6 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -109.37 114.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.652 ' CG ' HD11 ' A' ' 77' ' ' LEU . 7.0 m-80 -82.01 146.83 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 10.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 4.73 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -107.99 -70.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 10.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -92.33 13.43 67.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 10.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 4.1 tttt 69.62 -60.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.769 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -177.46 139.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.874 HG11 ' HA ' ' A' ' 77' ' ' LEU . 31.1 m -118.08 -9.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.44 -144.17 3.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 169.84 175.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 10.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.86 ' CD1' HD11 ' A' ' 47' ' ' LEU . 19.1 mm -112.95 107.99 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mt-10 -109.04 97.15 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.0 HG23 HG21 ' A' ' 70' ' ' ILE . 16.6 mt -97.43 142.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -142.23 79.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -33.68 126.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 10.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 69.9 p -106.14 -176.6 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 10.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.77 71.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -155.8 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 10.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -125.51 -174.95 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 10.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -39.31 -86.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 10.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.6 OUTLIER -110.45 149.69 29.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t70 -155.3 34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.0 HG21 HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -94.27 177.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.4 59.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 10.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 70' ' ' ILE . 1.6 pp -93.41 129.93 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -155.2 67.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.975 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.886 ' HB1' HD11 ' A' ' 128' ' ' LEU . . . -36.44 133.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 10.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 55' ' ' VAL . 3.0 m120 -78.87 162.19 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.486 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 16.5 m -110.09 110.31 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.874 ' HA ' HG11 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -34.07 -61.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.62 -55.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 10.0 110.331 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 115.3 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.78 73.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 10.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -37.92 133.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.429 0.723 . . . . 10.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 66.4 m -156.0 65.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -126.71 102.0 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 168.05 34.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 10.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.28 176.44 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 10.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.614 ' O ' ' CE2' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -99.79 169.62 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.561 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -68.05 135.88 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 10.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -116.66 160.85 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 10.0 110.97 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -142.08 -177.74 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.01 57.84 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 10.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -92.26 22.38 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 10.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 64.8 59.69 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 108.29 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG23 ' H ' ' A' ' 95' ' ' ARG . 5.3 m -146.22 -59.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' H ' HG23 ' A' ' 94' ' ' VAL . 22.6 mmt180 -139.46 78.53 26.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 10.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.99 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 10.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 169.24 104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 177.91 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -62.69 135.27 57.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 10.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER 159.84 70.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.25 56.02 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.43 -164.74 10.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.69 -173.98 36.62 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 10.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.985 -0.846 . . . . 10.0 110.985 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 1.2 t0 79.6 100.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' A' ' 168' ' ' GLN . 0.8 OUTLIER -124.49 77.12 62.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.72 26.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 10.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 128' ' ' LEU . 26.1 m-20 60.35 170.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 10.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 83' ' ' LEU . 19.1 mt 43.52 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.742 ' C ' HG13 ' A' ' 130' ' ' VAL . 18.7 pt-20 -135.72 123.84 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.742 HG13 ' C ' ' A' ' 129' ' ' GLU . 0.7 OUTLIER 68.42 161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 76' ' ' SER . . . -77.01 59.75 3.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 10.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.25 32.47 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 10.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.463 ' N ' ' HB2' ' A' ' 76' ' ' SER . 0.1 OUTLIER 62.12 16.01 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 53.08 65.05 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -86.82 78.24 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 10.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 128' ' ' LEU . 7.6 m -122.54 163.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 27.1 p-10 172.01 145.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 138' ' ' VAL . 7.2 m -134.59 96.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 10.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.684 HG21 ' O ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.78 39.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 128.95 11.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 68.09 106.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.464 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -155.35 118.16 2.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 10.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -171.56 60.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.672 ' OG1' HD22 ' A' ' 68' ' ' LEU . 26.1 p -88.02 74.35 8.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 10.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.75 69.0 6.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 10.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' LEU . 22.0 mmtt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 1.024 HD13 ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 10.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 9.1 t-20 64.69 9.25 5.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.748 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -112.66 -20.95 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 1.024 ' CD1' HD13 ' A' ' 153' ' ' LEU . 5.7 mt -84.94 -140.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -120.67 86.17 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 10.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 157' ' ' ASP . 26.9 p-10 -90.81 -42.02 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 161' ' ' SER . . . 128.38 -106.03 0.75 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 161' ' ' SER . . . . . 1.004 ' HB3' ' HB1' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 55.06 109.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 10.0 109.991 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 87' ' ' ILE . . . -158.69 55.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.533 ' N ' ' OH ' ' A' ' 88' ' ' TYR . 14.2 m-85 -159.2 58.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 10.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.548 ' HB ' ' CE1' ' A' ' 166' ' ' HIS . 13.1 pt -106.78 114.72 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.928 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.5 mp -97.33 133.21 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.552 ' CB ' ' O ' ' A' ' 165' ' ' ILE . 1.2 p-80 159.15 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.85 -21.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 125' ' ' LEU . 3.7 mt-30 -83.99 178.25 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -111.69 108.33 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 10.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.814 ' HB2' HD13 ' A' ' 77' ' ' LEU . 2.6 p30 -135.94 40.63 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 170' ' ' ASP . 4.2 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 184' ' ' ILE . 2.0 m120 175.02 81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.58 71.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 10.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.31 128.33 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 10.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.49 158.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.487 ' HA ' ' ND1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -63.63 116.76 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.301 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.741 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -120.43 -76.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.928 HG13 ' HB ' ' A' ' 165' ' ' ILE . 2.6 p -106.51 110.9 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.12 161.26 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 108.293 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -148.02 16.77 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 10.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 1.004 ' HB1' ' HB3' ' A' ' 161' ' ' SER . . . -49.42 178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 10.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 92' ' ' SER . 6.8 mt 69.4 59.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 10.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 156' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 11.6 m-85 63.24 51.28 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.87 -141.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 10.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -39.44 -48.92 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.18 156.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.65 ' HB ' ' CE2' ' A' ' 163' ' ' PHE . 3.0 m -96.1 114.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -89.12 134.35 34.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -113.75 98.84 7.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.793 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 t -130.08 108.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.937 ' ND2' HG21 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -83.07 163.46 20.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 10.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.16 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.1 mm-40 -108.86 -45.75 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 10.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.601 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -35.39 -31.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 10.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 76.86 -47.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 10.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . -176.81 150.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 4.2 m -116.56 8.05 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.675 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 117.67 -113.5 2.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 10.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.3 p90 169.89 157.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.93 73.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 10.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' HIS . 10.2 mt-10 -85.96 120.11 26.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 10.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.846 HG22 ' HB ' ' A' ' 70' ' ' ILE . 1.9 pp -125.69 172.47 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -157.55 57.43 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 10.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 61' ' ' LYS . 3.0 mt-10 26.26 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 10.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 62' ' ' GLU . 24.3 p 33.77 -147.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.01 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.55 -63.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -95.13 -170.63 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 1.007 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -37.06 -92.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 10.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.075 HD23 ' HB2' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -91.56 140.41 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.6 OUTLIER -157.44 40.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.846 ' HB ' HG22 ' A' ' 60' ' ' ILE . 1.3 pp -83.48 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 10.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 59' ' ' GLU . 2.9 t-160 -125.64 74.34 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 10.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 70' ' ' ILE . 2.0 pp -109.32 108.76 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -154.27 68.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 10.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -54.61 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 10.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 133' ' ' ASP . 1.2 m-20 -95.91 -6.33 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.83 ' HB2' HG22 ' A' ' 130' ' ' VAL . 27.0 p 42.5 57.16 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 83' ' ' LEU . 1.3 mt 39.49 -92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 164.86 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 10.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 75.3 3.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 10.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 16.5 63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 10.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -91.76 173.83 7.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 10.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.602 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -100.25 122.84 43.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 10.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.968 HD11 HD12 ' A' ' 77' ' ' LEU . 1.1 mm? -123.96 59.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.9 151.04 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.563 1.164 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 128' ' ' LEU . 13.6 t80 -168.91 137.66 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 10.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 167.19 119.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 162' ' ' ALA . 1.1 tp -39.2 129.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 190' ' ' LEU . 0.1 OUTLIER -107.63 176.07 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 10.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.33 -65.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 10.0 110.356 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -155.04 -171.93 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.359 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -37.2 126.28 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -113.69 -83.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 10.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.558 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -112.22 157.51 20.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 93' ' ' CYS . 41.9 t -156.62 -43.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 172.99 -53.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.96 -44.62 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 10.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.6 t0 65.25 144.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 10.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.77 -54.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.06 69.67 10.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 110.355 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -82.16 120.84 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 10.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.04 -70.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 55.88 93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 10.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.68 99.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 138.74 23.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 10.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 162.77 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 114.01 54.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.44 16.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 10.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -116.12 58.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 85' ' ' PHE . 47.5 mt -146.75 61.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' VAL . 5.0 pt-20 -84.36 108.49 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 10.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 76' ' ' SER . 32.8 t -43.74 165.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 124.14 -18.63 7.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 10.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.0 3.38 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER 72.78 56.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 76' ' ' SER . . . 41.25 27.46 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 10.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 133' ' ' ASP . 15.4 mtpt -86.57 63.09 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -116.95 96.46 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.57 113.04 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.7 m -110.74 104.2 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -155.28 78.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtt -129.49 169.17 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -43.96 128.68 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 1.075 ' HB2' HD23 ' A' ' 68' ' ' LEU . . . -128.51 168.63 15.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -37.11 2.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 10.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.443 ' C ' ' OG1' ' A' ' 145' ' ' THR . 5.5 m-20 168.76 53.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.601 HG22 HG21 ' A' ' 155' ' ' ILE . 0.1 OUTLIER 45.31 97.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 10.0 110.43 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 146' ' ' SER . 0.9 OUTLIER 176.78 35.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 1.05 HD13 HD13 ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 146' ' ' SER . 3.4 mtpt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -138.44 -92.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.711 ' H ' HD12 ' A' ' 153' ' ' LEU . 9.9 t-20 70.26 2.31 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.05 HD13 HD13 ' A' ' 147' ' ' LEU . 0.9 OUTLIER -131.84 -56.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.554 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -103.38 70.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.663 ' OD1' HD11 ' A' ' 87' ' ' ILE . 4.2 m-20 -84.17 139.6 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -25.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 10.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -104.99 -61.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.78 ' HA2' HD11 ' A' ' 60' ' ' ILE . . . -178.59 -75.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 -178.65 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 10.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -147.69 97.95 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 10.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 1.028 ' CE2' HD12 ' A' ' 47' ' ' LEU . 5.2 p90 -112.45 175.99 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.004 HG23 ' CE1' ' A' ' 166' ' ' HIS . 1.2 mp -152.54 117.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.883 HD12 ' CD1' ' A' ' 163' ' ' PHE . 3.4 mp -125.38 78.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 10.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 1.004 ' CE1' HG23 ' A' ' 164' ' ' ILE . 4.1 m-70 -77.32 175.44 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 10.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 181' ' ' GLY . 11.7 pt-20 -63.91 66.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 4.5 mt-30 -83.64 177.65 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 168' ' ' GLN . . . -36.46 151.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 10.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.413 ' OD2' ' C ' ' A' ' 169' ' ' ALA . 0.2 OUTLIER 56.37 175.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.0 t30 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.6 m 87.59 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 10.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 56.19 86.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . -26.9 148.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 10.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.479 ' C ' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -55.91 127.88 32.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER -154.87 -32.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.937 HG21 ' ND2' ' A' ' 49' ' ' ASN . 72.3 t -81.24 82.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -155.79 116.18 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -96.05 -53.14 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 10.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 46.91 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.66 73.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -173.84 128.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 10.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.4 95.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.59 149.12 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 10.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.67 68.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 ' HA3' ' A' ' 187' ' ' GLY . 56.0 t -142.0 121.93 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.66 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -106.46 121.9 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 10.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -121.61 100.05 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.806 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.0 p -121.92 119.5 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' ARG . 69.9 m-80 -83.81 146.11 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASN . 16.3 tpt180 -34.22 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.78 -46.0 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 10.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -38.89 -47.44 2.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 10.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 79.28 3.04 2.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 10.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 88.41 124.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 76' ' ' SER . 32.9 m -140.27 12.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.83 -160.64 10.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.111 . . . . 10.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.919 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER 174.32 166.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 10.0 111.03 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.998 HD12 HG23 ' A' ' 72' ' ' ILE . 4.8 mm -99.8 136.39 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' H ' HD13 ' A' ' 72' ' ' ILE . 28.3 mt-10 -152.08 74.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.999 HG23 HD11 ' A' ' 72' ' ' ILE . 1.6 pt -83.72 147.22 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.754 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -152.21 101.73 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 10.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -26.32 128.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 10.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 23.6 p -111.72 -173.89 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -151.9 74.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 10.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' GLY . 45.1 mt-10 -120.9 -172.08 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -30.98 -63.25 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 10.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -149.46 136.96 20.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 10.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -132.69 50.66 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 10.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.863 ' CD1' HD11 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -84.93 178.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -122.1 75.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.177 HG21 ' CE1' ' A' ' 163' ' ' PHE . 36.4 mm -98.09 81.69 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 92.49 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 10.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -106.94 74.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.608 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.2 m-80 -157.26 -159.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.637 ' O ' HG21 ' A' ' 55' ' ' VAL . 4.9 t 95.51 55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.695 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -97.3 -79.1 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 160.6 -56.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.767 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.3 Cg_endo -75.02 163.83 34.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.3 50.42 3.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 10.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 1.003 ' HB1' ' HB3' ' A' ' 168' ' ' GLN . . . -77.05 171.76 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 10.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.909 ' OG ' ' HB2' ' A' ' 169' ' ' ALA . 40.0 m -106.41 126.68 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 10.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.8 ' C ' HG23 ' A' ' 165' ' ' ILE . 0.5 OUTLIER -117.71 73.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -20.45 129.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 10.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.589 ' HB2' HD21 ' A' ' 128' ' ' LEU . 4.0 t80 -116.31 164.16 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 10.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 1.2 t-160 57.47 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 10.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.7 pt -59.27 -174.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 10.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -143.09 61.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 10.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 70.56 -58.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 179.43 7.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 161' ' ' SER . . . -121.93 -55.08 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 10.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.818 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 99.5 p -85.05 146.36 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 10.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.95 65.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 10.0 108.331 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -52.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -150.06 144.05 17.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 10.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 10.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.5 t0 175.49 -70.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -174.06 -64.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.83 119.9 28.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.32 -174.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.51 99.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 10.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 145.39 16.68 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 10.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.73 -122.97 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 10.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.77 33.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.39 132.45 50.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.05 133.47 35.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 165.61 30.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.792 . . . . 10.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -122.91 59.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -170.82 59.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.9 pt-20 -90.82 57.32 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 79' ' ' PRO . 1.6 t 37.53 -146.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.552 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 72.54 -60.67 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.551 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -53.92 -43.38 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 10.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 152.05 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 94.17 42.72 3.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 10.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -123.5 81.46 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 10.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 128' ' ' LEU . 1.5 t -113.66 87.8 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 10.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.825 ' O ' HG22 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -118.97 178.73 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 137' ' ' ASP . 5.7 m 53.43 167.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 10.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.905 HD13 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -130.81 127.06 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 1.8 mmt -86.59 107.16 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' MET . 34.5 t30 79.29 137.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.24 132.53 14.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -44.07 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -177.05 57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.436 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 45.1 p -115.92 60.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.3 p -79.62 124.51 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 10.0 110.051 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 68' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER -41.92 -35.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 6.6 t-20 83.5 -5.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.4 pt -116.58 44.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.23 103.02 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -84.56 89.1 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 72.61 -62.02 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 10.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.402 ' HB3' HD21 ' A' ' 189' ' ' LEU . 1.4 m-20 -115.3 -45.17 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -179.66 -123.37 0.83 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 10.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.472 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . 13.1 p 171.43 152.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.969 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.41 176.15 12.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 10.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 1.177 ' CE1' HG21 ' A' ' 72' ' ' ILE . 24.6 m-85 -87.26 116.02 25.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 10.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 164' ' ' ILE . 3.4 mp -82.91 112.49 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.834 HG23 ' N ' ' A' ' 84' ' ' GLY . 2.2 mp -109.92 147.88 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.686 ' O ' ' C ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -119.56 112.78 19.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 10.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 166' ' ' HIS . 68.8 mt-10 5.59 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 1.003 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 pt20 -163.91 176.69 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.909 ' HB2' ' OG ' ' A' ' 82' ' ' SER . . . -73.21 -23.54 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.42 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.453 ' ND2' ' H ' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -88.72 65.94 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 10.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 82.8 p -138.17 47.71 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 10.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 166' ' ' HIS . . . 119.82 12.68 6.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 10.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' HIS . . . -78.36 111.0 13.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 10.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.4 88.43 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.6 pp -123.19 -34.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 48' ' ' VAL . 2.6 p -84.69 56.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.75 129.21 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 108.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.852 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . -83.75 -54.32 3.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 10.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.818 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 60.63 145.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 10.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 159' ' ' ASP . 0.3 OUTLIER 68.92 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 10.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.48 99.22 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 10.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 140.45 175.26 14.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 10.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 153' ' ' LEU . 4.7 p80 -57.71 -157.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.645 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 1.8 t-160 162.77 113.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 10.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.758 HG11 ' HA ' ' A' ' 162' ' ' ALA . 0.7 OUTLIER -85.12 82.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -27.61 104.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -98.79 78.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 185' ' ' VAL . 0.6 OUTLIER -92.13 141.15 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.877 ' OD1' HG13 ' A' ' 55' ' ' VAL . 2.2 m-80 -112.41 172.19 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -65.19 -25.47 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 10.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 18.9 mt-10 -147.54 -43.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.914 ' O ' HD11 ' A' ' 77' ' ' LEU . . . -30.95 -37.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.1 OUTLIER 92.7 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 10.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 166.86 130.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.907 HG12 ' HB2' ' A' ' 76' ' ' SER . 16.8 m -89.2 26.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 109.82 -123.76 6.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 10.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.15 159.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 10.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.5 mp -99.41 100.35 10.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' ND1' ' A' ' 71' ' ' HIS . 29.7 mt-10 -138.46 69.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.776 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.13 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -143.55 118.23 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 10.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -30.6 136.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 10.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 37.1 m -98.74 -84.49 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER 157.96 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 10.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 5.7 t70 -84.72 -93.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 10.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 13.9 mt-10 -141.9 172.68 12.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . 35.76 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 10.0 111.041 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.752 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -83.62 85.33 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 10.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.875 ' O ' HD11 ' A' ' 139' ' ' ILE . 6.5 m-20 -159.96 52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 70' ' ' ILE . 41.6 mm -84.03 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 174.18 56.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.582 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 72' ' ' ILE . 41.9 mm -106.57 58.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -91.57 88.99 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -100.36 75.55 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -124.48 146.65 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.907 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.3 t -106.92 52.54 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.914 HD11 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 76.31 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 131' ' ' GLY . 14.7 ptt180 170.01 62.24 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 10.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.702 ' HG2' HD11 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.97 -5.99 17.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 10.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . 74.83 66.93 1.83 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.134 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 167.95 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 10.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.677 ' O ' HD13 ' A' ' 83' ' ' LEU . 16.3 m -81.23 150.38 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.885 ' C ' HG23 ' A' ' 165' ' ' ILE . 1.9 mm? -125.29 57.16 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.785 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 51.89 172.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 10.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 1.7 t80 170.82 140.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 10.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 81.01 168.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 10.0 109.625 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mm -99.02 156.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -153.45 175.0 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 10.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -67.29 72.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.69 ' CB ' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.17 153.31 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.292 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.09 -105.37 1.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 10.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -90.38 160.12 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 10.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.44 ' SG ' ' NZ ' ' A' ' 90' ' ' LYS . 1.7 m -101.43 80.61 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.5 p -159.32 44.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 10.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -132.55 99.97 15.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 10.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.34 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 10.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.65 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -168.95 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.02 75.59 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 m 53.06 173.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.03 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.26 53.01 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 10.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 63.5 148.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 10.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.93 119.22 4.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -147.03 173.24 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.07 92.1 49.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 10.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.01 163.34 35.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -94.08 59.08 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -165.1 98.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 130' ' ' VAL . 5.0 pt-20 -148.47 56.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 10.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.887 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.6 OUTLIER -155.83 -162.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.887 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -49.73 -101.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 10.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.872 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . -93.13 42.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.733 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.741 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -70.6 -6.7 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . . . -96.46 7.28 66.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 10.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.872 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.4 OUTLIER -81.39 60.67 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 10.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.33 140.11 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 138' ' ' VAL . 1.3 p30 -149.53 64.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 1.034 ' O ' HD13 ' A' ' 139' ' ' ILE . 2.6 t -159.16 161.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 10.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 1.034 HD13 ' O ' ' A' ' 138' ' ' VAL . 2.5 mm -138.82 157.41 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.01 111.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.02 86.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -92.55 168.72 12.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.544 1.813 . . . . 10.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 t0 175.6 62.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.4 p -87.48 12.95 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.7 m -44.39 120.47 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 10.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.412 ' CD ' ' N ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.2 OUTLIER -62.47 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 5.8 t-20 158.1 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.421 ' CG1' HD22 ' A' ' 156' ' ' LEU . 3.1 pt -51.93 -21.42 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 153' ' ' LEU . 2.1 mm? -85.31 94.49 8.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -98.76 149.89 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 50.89 -97.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.7 ' HB3' HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -84.78 -30.95 24.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 10.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . 114.33 -117.75 4.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 10.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.497 ' N ' HD12 ' A' ' 156' ' ' LEU . 88.1 p -178.67 166.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 10.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.758 ' HA ' HG11 ' A' ' 45' ' ' VAL . . . -132.7 167.06 20.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 58' ' ' ILE . 7.0 m-85 -85.67 174.68 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.785 HG23 ' NE2' ' A' ' 166' ' ' HIS . 38.4 mm -127.93 100.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 10.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.885 HG23 ' C ' ' A' ' 83' ' ' LEU . 1.2 mp -117.01 103.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.785 ' NE2' HG23 ' A' ' 164' ' ' ILE . 25.0 p80 179.77 179.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 10.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.2 OUTLIER 76.8 -0.45 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 167' ' ' GLU . 10.5 mm-40 -142.78 171.45 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 65.73 114.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 10.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 171' ' ' ASP . 4.6 m-20 -134.75 83.11 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 170' ' ' ASP . 4.9 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 181' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.572 ' OD1' HG21 ' A' ' 184' ' ' ILE . 36.7 t-20 -39.76 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 10.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 178' ' ' GLY . 1.4 p -88.98 41.76 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -98.56 12.13 63.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 75.11 137.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 10.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.574 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.6 mtp-105 50.94 77.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -132.06 -79.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 10.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 184' ' ' ILE . 59.8 t -84.34 129.21 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.64 136.38 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -47.31 -51.49 15.24 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 10.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.598 ' H ' ' HB1' ' A' ' 162' ' ' ALA . . . 74.16 73.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.733 ' H ' ' HB2' ' A' ' 162' ' ' ALA . 5.3 mt 61.63 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 1.7 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.13 99.73 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.39 179.28 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 10.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -174.33 85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 10.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.22 54.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 109.581 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 HG12 ' A' ' 58' ' ' ILE . 13.4 t -156.79 71.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.88 92.49 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 10.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 74' ' ' ALA . 12.9 mt -96.94 82.51 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.679 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 p -109.82 123.45 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 1.049 ' ND2' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.91 165.67 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -1.56 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.42 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 10.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -128.97 -42.77 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 10.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 8.7 tttt 175.42 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 10.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 53' ' ' LYS . . . -122.23 112.28 17.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 77' ' ' LEU . 18.6 m -83.75 -16.75 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . -168.68 -148.07 5.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 10.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER 162.5 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 10.0 111.036 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.863 HG12 HG11 ' A' ' 45' ' ' VAL . 27.9 mm -107.69 120.35 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -139.5 88.96 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 110.315 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.722 HD13 HD22 ' A' ' 156' ' ' LEU . 2.3 pp -85.2 144.03 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -145.29 63.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -4.52 108.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 41.2 t -35.69 -40.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 10.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.58 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -54.81 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -87.2 -159.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 10.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . -122.08 -4.82 9.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -147.15 105.38 3.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 10.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -159.74 27.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 139' ' ' ILE . 1.8 pp -106.98 176.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.418 ' CD2' ' HE2' ' A' ' 61' ' ' LYS . 23.5 m-70 -135.09 103.49 5.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 10.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.5 pp -120.22 59.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 10.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 1.3 p -126.61 132.63 51.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -123.8 54.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.79 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.85 153.65 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.7 t 145.07 56.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.839 HD11 HD11 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -90.04 -90.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 mtt180 156.32 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 10.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 29.66 83.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 10.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.588 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -121.17 167.26 12.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' SER . . . . . 1.037 ' O ' HD13 ' A' ' 83' ' ' LEU . 63.9 m -105.97 136.54 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -136.97 100.46 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.842 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -47.68 168.21 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 128' ' ' LEU . 2.6 t80 169.01 124.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 10.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 168.31 121.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 109.641 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 162' ' ' ALA . 3.4 mm -66.55 81.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -155.28 86.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.529 ' HB2' ' HB1' ' A' ' 162' ' ' ALA . 2.2 mt-10 -176.23 -173.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.87 126.63 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.14 143.12 0.57 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 10.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.9 p -94.79 176.03 6.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 10.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.03 155.27 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 10.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 95' ' ' ARG . 54.4 t -147.45 -48.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 tpt85 171.13 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 10.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.05 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 10.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.36 -70.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 10.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.9 t80 56.08 93.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.63 158.05 34.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.99 -47.69 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 10.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.02 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 10.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.39 133.44 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.62 109.42 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 10.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.536 ' CG ' ' HA3' ' A' ' 123' ' ' GLY . 1.6 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 105' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.6 132.73 5.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 10.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -148.51 153.17 39.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 10.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.21 20.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 10.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 6.3 m-20 -120.34 171.31 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 85' ' ' PHE . 3.5 mt 81.33 100.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.7 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -155.24 74.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 10.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 133' ' ' ASP . 0.3 OUTLIER 168.82 107.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 10.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 29.88 -143.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 10.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.759 ' HB1' ' HG2' ' A' ' 135' ' ' LYS . . . -70.44 -6.22 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 10.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.773 ' HB3' HG13 ' A' ' 130' ' ' VAL . 0.5 OUTLIER -63.48 -9.21 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 10.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . -120.47 2.05 12.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 10.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.759 ' HG2' ' HB1' ' A' ' 132' ' ' ALA . 0.2 OUTLIER -81.04 79.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 10.0 109.366 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 136' ' ' VAL . 2.2 t -99.06 87.03 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 10.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -117.56 68.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 137' ' ' ASP . 29.3 m -158.29 143.21 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 70' ' ' ILE . 10.9 mm -113.83 160.25 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 10.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.829 ' HA ' HD22 ' A' ' 68' ' ' LEU . 22.6 mtt -155.35 127.42 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.3 OUTLIER 80.95 73.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 109.269 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 67' ' ' GLY . . . -154.9 149.12 19.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -38.64 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -172.51 64.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.862 HG21 HG23 ' A' ' 70' ' ' ILE . 1.5 p 39.82 53.86 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 10.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.657 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -125.9 -8.07 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 10.0 109.975 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.859 ' N ' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -115.53 -42.61 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.685 ' H ' HD12 ' A' ' 153' ' ' LEU . 21.2 t-20 71.23 6.5 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 10.0 109.268 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.738 ' CG2' HD23 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -114.15 -53.36 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.738 HD23 ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -129.89 65.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.514 ' CB ' HD11 ' A' ' 153' ' ' LEU . 1.6 t0 -112.21 144.71 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.849 ' O ' HD13 ' A' ' 189' ' ' LEU . 1.5 tt0 -39.1 -59.6 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.37 46.11 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 10.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -119.46 -8.28 9.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 10.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 190' ' ' LEU . 1.5 m -96.32 142.45 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.61 138.56 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 33.2 m-85 -155.81 84.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 10.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.556 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 8.6 mm -83.8 117.66 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 10.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.842 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.1 mp -127.66 111.81 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.556 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 16.8 p80 178.81 177.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.444 ' CA ' ' HA3' ' A' ' 181' ' ' GLY . 0.5 OUTLIER 76.99 -1.98 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 10.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 32.5 mt-30 -145.21 162.57 36.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 10.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.67 174.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.56 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.4 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 1.8 m-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 10.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.4 t-20 -51.66 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.9 t 94.21 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 10.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.597 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 154.28 -121.22 1.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 10.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 59.78 146.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 10.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -41.63 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.819 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -124.25 -68.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 1.049 HG21 ' ND2' ' A' ' 49' ' ' ASN . 73.3 t -86.1 137.38 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.245 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.1 140.46 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 108.277 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.807 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -148.77 143.59 11.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -176.91 177.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER 73.33 80.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.477 ' N ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 96.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 10.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 125.55 159.19 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.521 1.138 . . . . 10.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -58.17 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 10.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -167.06 155.95 10.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 10.0 109.652 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.804 HG22 ' N ' ' A' ' 188' ' ' ALA . 3.8 t -85.41 75.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -36.77 108.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.65 88.98 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 10.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 53' ' ' LYS . 97.7 t -108.81 105.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.6 p30 -98.6 -170.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.7 tpt85 -28.76 -89.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.3 mt-10 -105.62 -31.6 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.661 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -29.41 -40.74 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 48' ' ' VAL . 16.0 tttm 72.49 -52.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 10.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.07 128.73 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 77' ' ' LEU . 1.5 m -113.48 12.68 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' CD1' ' A' ' 47' ' ' LEU . . . 137.15 -129.62 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.107 . . . . 10.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 47' ' ' LEU . 3.1 p90 177.79 162.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 10.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 47' ' ' LEU . 1.6 mp -124.29 97.65 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 70' ' ' ILE . 1.1 pt-20 -122.66 129.04 51.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.799 HG23 ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.2 146.69 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -149.49 107.25 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -37.72 120.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -96.55 -113.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 170.6 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.84 -69.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -134.74 -166.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.09 -91.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 10.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 68' ' ' LEU . 1.7 pt? -127.45 148.69 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 10.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 1.041 ' O ' HD13 ' A' ' 70' ' ' ILE . 2.6 m-20 -135.03 11.21 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 69' ' ' ASP . 2.1 mm -139.52 163.59 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 10.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.933 ' CD2' HG22 ' A' ' 58' ' ' ILE . 0.0 OUTLIER 76.86 46.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.563 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.834 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -162.17 56.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.15 177.5 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 10.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -145.98 172.55 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.89 -11.13 31.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 10.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.59 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER 71.65 86.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 10.0 110.024 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD11 HG11 ' A' ' 55' ' ' VAL . 1.1 mt -34.52 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 157.97 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 10.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 56.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 10.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 26.88 45.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 10.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.594 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -63.83 150.05 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 10.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.82 ' C ' HD13 ' A' ' 83' ' ' LEU . 47.7 m -96.55 107.39 19.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -108.85 112.46 24.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.46 137.24 9.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.834 ' CZ ' HG22 ' A' ' 72' ' ' ILE . 6.7 p90 -133.37 157.97 44.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 10.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -176.88 137.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 10.0 109.626 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 87' ' ' ILE . 2.2 mp -46.28 110.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -150.75 143.54 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 10.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.47 143.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 10.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 5.0 pttt -106.99 92.97 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 10.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.04 166.25 11.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.417 ' CB ' ' CB ' ' A' ' 188' ' ' ALA . 37.5 p -86.08 147.6 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 10.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.47 99.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 108.322 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' VAL . 26.6 m -144.37 69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 64.86 88.8 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.01 -38.32 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER 79.55 -70.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER 167.1 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 111.03 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.88 -67.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t 55.59 99.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 109.995 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.58 83.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.24 -140.74 6.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 10.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.7 150.31 22.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -74.98 -87.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 10.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 10.0 110.99 -179.986 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -174.12 143.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 10.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.37 3.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.02 25.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 136' ' ' VAL . 72.6 m-20 -84.11 62.84 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 10.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.57 70.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.3 OUTLIER -119.7 59.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 10.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.594 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 36.73 -150.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 73.71 -54.35 2.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 10.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -89.41 21.52 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 10.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 61.49 42.05 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 10.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 39.23 25.92 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 10.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 133' ' ' ASP . 9.9 mtpt -90.2 59.34 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.828 ' O ' HG12 ' A' ' 136' ' ' VAL . 12.7 t -113.01 58.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.878 ' O ' HG22 ' A' ' 138' ' ' VAL . 20.9 p-10 -77.44 177.85 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 137' ' ' ASP . 4.6 m 55.0 163.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.51 HD12 HG12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -129.73 -169.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 10.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 3.3 mtt -119.86 94.96 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.6 t30 62.33 146.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.48 143.47 44.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 10.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 10.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.54 47.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 10.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.588 ' HA ' HG21 ' A' ' 155' ' ' ILE . 68.5 p -103.81 65.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -79.38 119.4 22.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.021 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 68' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 10.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.9 pp -88.57 61.02 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -90.89 37.52 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 10.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.655 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.68 -34.38 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 190' ' ' LEU . 1.5 mt -85.53 -142.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -176.3 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.36 12.35 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 156' ' ' LEU . . . 81.62 -97.94 1.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 156' ' ' LEU . 9.1 t -159.09 172.06 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 0.79 . . . . 10.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.4 113.93 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.722 ' CE2' ' CG ' ' A' ' 85' ' ' PHE . 5.0 m-85 -85.77 99.84 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.6 pt -96.07 101.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 165' ' ' ILE . 3.2 mp -97.28 114.77 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.545 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 3.3 p80 -176.88 173.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.38 10.08 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 4.6 mm100 -88.85 174.61 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 170' ' ' ASP . . . -85.92 166.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 10.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . 31.0 m-20 53.83 171.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 10.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 180' ' ' SER . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -69.87 58.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 10.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.444 ' CB ' ' OD1' ' A' ' 171' ' ' ASP . 34.0 t -160.83 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . -111.49 51.06 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.541 1.151 . . . . 10.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 178.95 143.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 10.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.545 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -59.05 124.22 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.678 HG12 HG23 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -141.46 -42.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.678 HG23 HG12 ' A' ' 184' ' ' ILE . 9.1 t -85.6 112.23 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.97 131.47 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.455 ' N ' HG13 ' A' ' 45' ' ' VAL . . . -135.57 -43.05 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 10.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.804 ' N ' HG22 ' A' ' 45' ' ' VAL . . . 58.27 166.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 10.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 30.2 mt 56.56 85.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 10.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 156' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -176.75 -178.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.73 138.94 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 10.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -67.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 10.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.27 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 10.0 109.562 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.666 HG13 ' C ' ' A' ' 187' ' ' GLY . 39.0 t -123.72 58.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.559 ' C ' HD13 ' A' ' 47' ' ' LEU . 3.0 pm0 -84.86 145.39 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.87 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -119.48 101.16 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 53' ' ' LYS . 2.8 t -129.46 106.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.788 ' OD1' HG11 ' A' ' 185' ' ' VAL . 2.3 m-80 -87.95 152.38 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.12 -55.17 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' LYS . 75.5 mm-40 -95.63 -51.18 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 10.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' ' 77' ' ' LEU . . . -37.7 -29.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.108 . . . . 10.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.648 ' O ' HG22 ' A' ' 48' ' ' VAL . 19.2 tptt 71.36 -51.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 10.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 176.67 121.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' HG ' ' A' ' 77' ' ' LEU . 4.5 m -90.46 21.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.52 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 111.27 -111.09 2.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 10.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.732 ' N ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 170.66 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 10.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.719 HG23 ' CG2' ' A' ' 72' ' ' ILE . 9.2 mt -111.16 91.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 71' ' ' HIS . 52.6 mm-40 -95.52 128.39 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -110.96 174.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -167.63 72.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 10.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -11.46 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 t -67.1 -146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.68 38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.84 -84.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -156.36 158.28 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 142' ' ' ALA . . . 50.35 -164.67 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 10.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.884 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -89.75 127.42 35.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.747 ' HA ' HG22 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -134.97 36.6 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.756 ' CG2' HD22 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -84.5 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -115.48 80.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.594 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.4 pp -106.52 125.29 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -156.05 110.68 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 10.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB3' ' CA ' ' A' ' 134' ' ' GLY . . . -75.9 178.65 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 10.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' HB2' ' CA ' ' A' ' 56' ' ' GLY . 1.4 m-20 -95.9 -13.15 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.684 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.3 t 57.34 72.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 10.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.803 ' HG ' HG12 ' A' ' 55' ' ' VAL . 2.2 mt -11.29 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.567 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.86 -57.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 78.13 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.35 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 10.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' H ' HG11 ' A' ' 130' ' ' VAL . . . -82.85 148.54 27.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.831 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.24 94.96 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 10.0 109.99 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.864 HD13 ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.22 96.78 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.66 126.65 7.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 1.127 ' CE2' HD13 ' A' ' 128' ' ' LEU . 38.4 p90 -170.92 85.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 10.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.676 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -178.74 63.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 10.0 109.603 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 86' ' ' HIS . 2.5 pp -158.56 -173.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.2 p90 -147.47 59.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.588 ' H ' ' HB3' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -61.02 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 10.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.67 104.21 14.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 126.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 10.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.448 ' C ' ' SG ' ' A' ' 93' ' ' CYS . 79.1 p -89.98 123.19 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 10.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 92' ' ' SER . 1.8 m 81.67 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.4 93.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.516 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -76.43 -50.67 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 10.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 10.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 1.7 p-10 172.22 157.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -127.73 -137.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.16 164.89 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 p -135.39 97.22 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.07 -111.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 10.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.67 177.88 52.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 157.54 43.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 10.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 10.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.68 115.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 10.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.06 151.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 10.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.08 15.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.771 . . . . 10.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.99 59.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 10.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.127 HD13 ' CE2' ' A' ' 85' ' ' PHE . 1.5 mt -133.32 60.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 10.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 130' ' ' VAL . 10.2 mt-10 -84.94 69.08 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.801 HG13 ' N ' ' A' ' 131' ' ' GLY . 2.6 p 33.29 -147.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.801 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 61.18 45.36 96.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 10.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 89.37 -7.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 129' ' ' GLU . 1.3 m-20 -52.92 -39.97 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.703 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -71.42 -17.05 75.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 10.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.68 59.36 5.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.766 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -105.22 176.78 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 138' ' ' VAL . 7.3 p-10 -163.75 110.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 10.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.945 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.3 OUTLIER 48.23 177.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 10.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.945 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.68 177.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.1 OUTLIER -142.28 155.99 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 10.0 110.987 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 140' ' ' MET . 4.0 t30 43.71 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -152.88 118.41 2.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.68 14.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 10.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 145' ' ' THR . 6.8 m-20 -51.2 -47.83 62.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 144' ' ' ASP . 0.2 OUTLIER 29.32 51.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 155' ' ' ILE . 1.8 p -85.2 44.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.6 pp -76.21 54.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -80.2 7.72 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 10.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 146' ' ' SER . 0.7 OUTLIER -89.75 21.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.9 pp -82.09 101.61 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 159' ' ' ASP . 0.4 OUTLIER -82.21 82.58 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.15 -61.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 10.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 9.7 t70 -83.58 -60.19 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.5 ' CA ' HD21 ' A' ' 190' ' ' LEU . . . 152.96 -105.31 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -92.08 161.73 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.61 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -142.92 108.81 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 15.0 m-85 -147.8 57.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 186' ' ' CYS . 34.6 pt -86.03 143.44 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.77 ' HB ' HG13 ' A' ' 185' ' ' VAL . 2.6 mp -109.16 143.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 19.4 p80 176.96 178.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 109.6 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.6 OUTLIER 79.71 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 10.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 2.8 mm-40 -137.46 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 10.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -174.67 -80.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.18 115.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.319 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 178' ' ' GLY . 14.2 t-20 -32.68 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 10.0 109.248 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 1.7 m 81.83 36.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 110.05 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -76.67 0.22 65.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 61.24 144.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.688 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 45.9 81.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 10.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 183' ' ' ARG . 1.5 mp -122.24 -64.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.788 HG11 ' OD1' ' A' ' 49' ' ' ASN . 1.5 p -112.28 146.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 10.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -141.65 146.81 36.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.666 ' C ' HG13 ' A' ' 45' ' ' VAL . . . -173.7 118.61 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 10.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 165.66 103.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.473 ' H ' HG22 ' A' ' 45' ' ' VAL . 3.4 mt -151.97 77.9 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 190' ' ' LEU . 2.1 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 25.6 p90 42.93 -171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.57 -161.83 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 10.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -62.89 -177.43 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 10.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.71 75.13 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 10.0 109.599 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.787 ' CG1' HD13 ' A' ' 58' ' ' ILE . 2.0 p -122.03 86.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -97.46 100.86 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.737 HD11 ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -82.98 84.45 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 10.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.615 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.4 t -113.12 114.74 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.663 ' OD1' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.21 148.2 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -81.24 7.37 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 10.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 179' ' ' ASN . 7.0 mm-40 -104.61 -67.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.77 -78.21 1.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 10.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -178.77 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 10.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 177.5 163.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG12 ' CD2' ' A' ' 77' ' ' LEU . 10.6 m -106.75 -15.69 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.568 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . 162.24 -130.1 2.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.612 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 161.12 166.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 10.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.9 mp -108.53 118.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' OE2' ' CD1' ' A' ' 57' ' ' PHE . 2.0 mt-10 -154.6 82.13 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 10.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.95 ' N ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -156.65 -176.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.15 139.44 54.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.97 151.27 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.3 p -105.23 124.11 48.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.3 60.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -66.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.62 -174.99 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 46.93 -133.33 12.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.446 1.092 . . . . 10.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.774 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.4 OUTLIER -137.52 -114.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.77 . . . . 10.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.94 ' CB ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -81.25 -176.89 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.045 ' O ' HD12 ' A' ' 70' ' ' ILE . 2.3 pp -117.24 50.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.864 ' HB2' HG21 ' A' ' 60' ' ' ILE . 0.1 OUTLIER 162.2 62.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 109.608 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.671 HG21 ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -110.1 55.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 38.8 p -103.19 175.81 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 172.95 85.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.833 ' ND2' HD22 ' A' ' 128' ' ' LEU . 14.2 m-80 -157.25 -43.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 10.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -62.93 105.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 10.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.04 -69.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 10.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 163.19 -60.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 10.0 110.315 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.06 44.65 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 10.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.57 51.84 0.31 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 10.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -82.83 176.67 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 10.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.893 ' O ' HD13 ' A' ' 83' ' ' LEU . 72.3 m -91.62 151.74 20.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 10.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -131.54 155.05 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.839 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -159.25 72.87 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.125 . . . . 10.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.72 ' HD1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -103.39 165.49 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 10.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 161.59 126.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 10.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 163' ' ' PHE . 1.7 mp -67.38 108.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 174.19 15.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 10.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 41.81 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' GLY . 11.0 ptmt -84.29 169.82 14.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . -51.42 -173.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 10.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.562 ' CB ' HG21 ' A' ' 164' ' ' ILE . 5.3 t -146.21 136.05 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 10.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 14.5 m 78.22 84.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 10.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 95' ' ' ARG . 9.1 p -152.41 -52.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.506 ' N ' HG13 ' A' ' 94' ' ' VAL . 30.8 mmt180 -145.2 140.16 15.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 10.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.42 141.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 54.17 104.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -55.73 24.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -140.18 151.66 45.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.985 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.6 -77.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.5 -106.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 10.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.85 -173.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 10.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 10.0 111.007 179.976 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 t0 57.85 170.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 10.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.0 156.28 69.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.587 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 10.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.64 78.76 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.833 HD22 ' ND2' ' A' ' 75' ' ' ASN . 12.9 mt -136.42 123.23 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -142.33 138.36 31.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.709 HG22 HD21 ' A' ' 83' ' ' LEU . 2.1 t -59.58 -145.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 10.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 59.17 26.02 60.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 90.06 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 10.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.495 ' CB ' ' HG3' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -46.53 -26.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 10.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -66.73 -29.02 74.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 10.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -83.53 74.63 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 10.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.1 t -114.03 110.75 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.7 p-10 -77.28 99.53 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.947 ' C ' HD13 ' A' ' 139' ' ' ILE . 4.2 m -80.8 100.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.947 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -133.8 18.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 10.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.19 20.5 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -146.56 49.46 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -142.59 131.02 11.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.453 ' O ' ' OD1' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.97 -43.06 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 143' ' ' PRO . 0.1 OUTLIER 176.35 69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.774 ' OG1' HD22 ' A' ' 68' ' ' LEU . 43.6 p -85.39 69.41 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.27 96.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 10.0 109.273 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 153' ' ' LEU . 2.9 pp -73.43 66.83 1.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 10.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -99.67 10.31 41.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -77.76 -14.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.848 HD12 ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.45 -168.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.41 82.41 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 68.67 -72.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 10.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -147.87 46.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.61 76.44 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.848 ' OG ' HD12 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -119.98 5.95 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 10.0 110.009 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.631 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -83.13 136.3 34.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 0.3 OUTLIER -116.73 92.15 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 10.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -86.77 123.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.839 HG23 ' H ' ' A' ' 84' ' ' GLY . 4.9 mp -85.75 126.45 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -165.97 175.94 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 10.0 109.583 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 1.5 mt-10 84.13 -10.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 2.2 mt-30 -146.77 164.49 32.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 86.47 148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 179' ' ' ASN . 6.4 p-10 165.2 119.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 10.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.518 HD21 HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -67.43 -142.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 179' ' ' ASN . 3.7 p 85.52 53.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 10.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.62 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -179.2 127.15 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.642 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 78.91 154.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 10.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.46 116.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 182' ' ' ALA . 1.2 mp -113.1 -39.04 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.4 p -129.69 133.6 64.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 146.34 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 108.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -114.19 -20.32 5.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.559 1.162 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 60.64 117.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 10.0 109.256 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 189' ' ' LEU . 3.3 pp -155.04 58.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 14.6 m-85 47.85 22.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.78 -164.5 12.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.133 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.2 p80 41.22 86.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 10.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 40.0 t60 -117.78 160.59 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.875 HG12 ' HA3' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -122.82 116.86 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.63 89.56 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 10.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.884 ' CD1' HD11 ' A' ' 58' ' ' ILE . 3.2 mt -86.54 100.4 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.62 HG12 HG21 ' A' ' 185' ' ' VAL . 5.0 t -122.4 155.24 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.626 ' OD1' HD11 ' A' ' 77' ' ' LEU . 2.4 m120 -112.02 -17.6 12.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 82.96 -7.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' ND2' ' A' ' 179' ' ' ASN . 26.5 mt-10 -97.11 -74.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 10.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.49 -75.23 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -179.13 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 10.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.7 167.49 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -124.1 19.8 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -149.62 18.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 10.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' C ' HD12 ' A' ' 58' ' ' ILE . 16.8 p90 -165.93 166.62 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.884 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -130.65 108.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 10.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -135.99 86.14 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -135.09 144.36 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.67 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 175.19 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -150.78 158.13 43.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 10.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -148.5 -173.18 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -157.68 -103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.22 -35.67 7.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 67' ' ' GLY . 5.0 mm-40 -99.69 -170.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 10.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.944 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -24.85 -99.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 10.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 ' O ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -159.41 139.55 11.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 10.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.17 59.35 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.064 HD11 HD12 ' A' ' 139' ' ' ILE . 1.1 pp -79.93 152.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 60' ' ' ILE . 4.1 m-70 -113.55 63.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 60' ' ' ILE . 1.3 mt -79.98 99.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 82.7 p -153.79 162.27 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 10.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -129.02 167.63 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 10.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -14.74 50.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 10.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.882 ' HA ' HD11 ' A' ' 83' ' ' LEU . 3.4 t 45.84 56.56 5.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 10.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.626 HD11 ' OD1' ' A' ' 49' ' ' ASN . 7.2 mt 34.49 -91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 163.46 -55.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.04 109.21 2.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 10.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 30.84 65.97 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' ' OG ' ' A' ' 76' ' ' SER . . . -53.8 150.37 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 10.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 168' ' ' GLN . 3.1 m -145.77 59.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 10.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -109.21 116.2 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.19 117.43 5.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 10.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -98.73 138.48 35.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 10.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 6.4 p-80 167.89 123.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.811 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -84.72 106.35 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.9 m-85 -156.7 76.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 1.1 mt-10 179.69 -171.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -146.05 83.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 10.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 45.63 99.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 10.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.72 124.28 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.734 . . . . 10.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 134.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 10.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t 64.32 94.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 60.0 89.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 110.253 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.764 . . . . 10.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.9 OUTLIER 81.81 24.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 97' ' ' ASP . 0.3 OUTLIER 71.55 -58.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 10.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -39.75 125.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 10.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -159.93 157.98 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.53 90.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -156.59 -107.33 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 10.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.94 100.37 2.04 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.71 9.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 10.0 110.951 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.88 157.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 10.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.833 HD11 ' OE1' ' A' ' 129' ' ' GLU . 0.6 OUTLIER -106.9 156.78 36.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 10.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.78 ' O ' HD23 ' A' ' 128' ' ' LEU . 3.6 m-20 -81.32 74.94 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 127' ' ' ASN . 9.6 mt -148.49 59.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.833 ' OE1' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -155.76 58.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 10.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.736 HG13 ' CG ' ' A' ' 133' ' ' ASP . 1.5 m -164.34 179.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.736 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -35.87 104.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 10.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . 40.43 32.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 10.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.736 ' CG ' HG13 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -68.19 -14.09 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.528 ' H ' ' CB ' ' A' ' 76' ' ' SER . . . -88.22 2.79 85.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 10.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.616 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.58 56.88 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 72' ' ' ILE . 1.5 t -127.67 120.1 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.731 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -137.29 177.01 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 64.11 154.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 1.064 HD12 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -129.52 128.49 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 16.5 mtp -84.81 88.16 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 140' ' ' MET . 28.1 t30 82.86 95.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.667 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -82.8 134.36 47.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 10.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.06 -61.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.56 59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 10.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.959 ' O ' HD11 ' A' ' 68' ' ' LEU . 2.6 p -95.44 59.91 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 10.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 153' ' ' LEU . 62.8 p -78.29 109.05 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.292 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -32.91 -58.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 11.0 t-20 76.79 16.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.78 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -115.56 -33.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.872 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -83.64 -152.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 159' ' ' ASP . 18.6 t70 -86.16 42.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.44 -61.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 10.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -83.17 -60.47 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 156' ' ' LEU . . . 167.72 -162.8 36.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 10.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.51 ' CB ' HG12 ' A' ' 87' ' ' ILE . 2.5 t -164.25 -162.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 10.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.401 ' HA ' HD23 ' A' ' 190' ' ' LEU . . . -156.02 148.27 23.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 10.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.21 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.402 HG22 ' HB3' ' A' ' 166' ' ' HIS . 15.9 mt -87.57 116.37 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 83' ' ' LEU . 2.8 mt -93.37 60.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 183' ' ' ARG . 15.1 p-80 -91.46 169.72 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 10.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 70.38 13.94 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 10.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -82.32 176.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 110.259 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -171.99 -166.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 10.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.96 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 10.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 178' ' ' GLY . 1.8 m-80 -171.51 121.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 168' ' ' GLN . 5.0 t -104.57 -65.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 10.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -168.64 -133.21 1.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.472 1.108 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 53.89 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 10.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 183' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 3.4 mtm105 -73.44 133.4 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -126.03 -97.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.62 HG21 HG12 ' A' ' 48' ' ' VAL . 2.4 t -101.44 147.41 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 186' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 187' ' ' GLY . 0.5 OUTLIER -137.5 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 108.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.875 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -55.07 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.123 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 151.68 83.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.3 mt 67.94 132.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 162' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -100.86 110.96 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 10.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.08 -164.94 39.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.099 . . . . 10.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 190' ' ' LEU . 3.6 m80 -69.82 -169.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 10.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -159.95 166.6 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' H ' ' A' ' 163' ' ' PHE . 0.2 OUTLIER -101.84 114.52 41.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 10.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CA ' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -74.88 91.74 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 58' ' ' ILE . 4.5 mt -97.31 93.42 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.761 ' N ' HG23 ' A' ' 185' ' ' VAL . 2.6 t -140.83 128.04 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -100.43 168.34 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -33.7 70.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.71 -69.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.85 -46.24 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 12.0 tttp 92.46 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 10.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . 178.86 118.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.982 HG23 ' HB1' ' A' ' 74' ' ' ALA . 8.7 m -83.97 -9.59 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 10.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.18 -113.4 0.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 10.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.716 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 163.51 163.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 10.0 110.964 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 47' ' ' LEU . 3.9 mp -99.05 104.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -115.87 114.53 24.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 70' ' ' ILE . 15.9 mt -103.37 114.63 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -108.14 79.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.945 ' HA ' HD13 ' A' ' 68' ' ' LEU . 1.6 mt-10 -36.19 154.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 110.335 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.76 ' H ' HD22 ' A' ' 68' ' ' LEU . 51.7 m -115.75 -81.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 10.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -65.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.22 -51.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 10.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 68' ' ' LEU . 18.2 pt-20 -83.82 -164.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.704 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . -31.51 135.85 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 10.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.945 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.76 166.01 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -85.14 66.09 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 10.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.883 HG21 HG23 ' A' ' 60' ' ' ILE . 2.5 pp -81.47 127.12 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.438 ' CB ' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -100.14 71.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 10.0 109.606 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.782 ' HB ' HG23 ' A' ' 58' ' ' ILE . 1.2 pp -100.24 71.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.678 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.6 p -108.45 132.01 54.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.982 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 163.94 126.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -152.76 -68.94 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.595 ' CB ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -168.2 79.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -83.79 114.53 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 10.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.516 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.68 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 10.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -149.21 42.32 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 10.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 146.07 62.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.574 ' O ' HD13 ' A' ' 83' ' ' LEU . 42.2 m -160.15 58.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -119.51 119.52 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 10.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.15 134.5 8.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -153.53 138.31 17.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 10.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' ILE . 59.4 t-80 -166.43 110.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 10.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' HIS . 8.3 mm -38.88 111.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 174.41 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -118.39 64.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.84 82.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.78 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 10.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -153.65 -60.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.753 . . . . 10.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.66 139.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 10.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 94' ' ' VAL . 75.8 t 65.72 72.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 64.4 94.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 10.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t0 173.7 87.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 54.7 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.82 137.95 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.77 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.78 68.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 10.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.08 118.22 0.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 10.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.85 157.46 24.63 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 10.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 10.0 110.988 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.4 169.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 10.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 113.9 54.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.8 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.476 1.777 . . . . 10.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HD12 ' A' ' 128' ' ' LEU . 4.4 m120 61.4 167.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 127' ' ' ASN . 0.2 OUTLIER 84.02 83.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 10.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.827 ' C ' HG12 ' A' ' 130' ' ' VAL . 1.4 pt-20 -123.73 66.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 10.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 163.42 125.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 76' ' ' SER . . . -42.44 -42.41 4.47 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 10.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 135' ' ' LYS . . . -55.83 -41.65 74.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 10.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.691 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.2 t70 -45.59 -31.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.64 -24.07 65.79 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 10.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' ALA . 2.5 mttt -86.28 56.61 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.47 126.24 74.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.771 ' C ' HG23 ' A' ' 138' ' ' VAL . 20.4 p-10 -174.09 -178.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.771 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 67.44 137.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 10.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.666 HG13 ' HB2' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -138.77 168.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -134.71 103.14 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.1 t30 79.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.704 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -84.37 132.7 46.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 10.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.56 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 10.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.425 ' C ' ' OD2' ' A' ' 144' ' ' ASP . 31.8 t0 -179.98 74.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.501 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 0.7 OUTLIER -97.84 61.23 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 10.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.942 ' HB2' HD23 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 77.57 4.96 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 10.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.561 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.4 mttt . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.942 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 25.56 78.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -88.99 -11.91 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 10.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.741 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -109.22 -23.31 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 155' ' ' ILE . 2.9 mm? -83.75 -125.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.557 ' O ' HD13 ' A' ' 153' ' ' LEU . 5.0 t0 -112.78 145.24 40.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -22.05 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.66 -68.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 157' ' ' ASP . . . -144.87 -122.35 1.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -153.8 112.01 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 10.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 189' ' ' LEU . . . -109.37 104.73 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.691 ' H ' HG11 ' A' ' 45' ' ' VAL . 10.3 m-85 -109.75 80.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.23 118.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.481 ' HB ' HG13 ' A' ' 185' ' ' VAL . 3.4 mp -88.71 139.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 1.5 p-80 -179.86 178.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 6.7 mt-10 85.72 -31.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.725 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 71.7 mt-30 -156.89 174.93 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 87.02 -158.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 10.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 170' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 74.28 -66.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 10.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.625 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.7 OUTLIER -57.57 -68.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 10.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.0 t 96.05 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 181' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 170' ' ' ASP . . . 177.9 -130.33 1.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 10.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.43 166.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 111.77 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 10.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.603 HD11 ' OD1' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -132.33 -37.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 10.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 185' ' ' VAL . . . . . 0.761 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -110.86 124.33 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.19 139.81 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 108.305 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.629 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -105.68 -169.21 23.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 10.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 189' ' ' LEU . . . -126.19 77.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -35.25 149.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 10.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.933 ' O ' HD12 ' A' ' 190' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 10.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.54 ' H ' HG23 ' A' ' 35' ' ' VAL . 13.9 p -136.11 162.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.41 176.08 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 t -145.73 156.37 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 10.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -71.44 -177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 10.0 110.007 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -88.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 10.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -79.62 170.74 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 10.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.32 -175.99 14.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 3.0 t-160 58.01 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 10.0 109.57 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 37.2 m80 -149.74 168.82 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 58' ' ' ILE . 4.3 m -90.06 104.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.519 ' HG2' HG12 ' A' ' 48' ' ' VAL . 1.2 pm0 -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 10.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -110.13 99.22 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 10.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.718 ' O ' HG21 ' A' ' 185' ' ' VAL . 1.5 p -129.6 153.18 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 10.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 165' ' ' ILE . 4.8 m120 -129.19 145.23 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.56 68.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -119.6 -40.48 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 10.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -44.35 -39.18 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 10.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 7.3 tptt 88.25 -13.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 10.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -55.46 145.37 22.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -155.63 27.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -73.26 -134.48 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 10.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 174.44 162.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 10.0 110.984 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.052 HG23 HG22 ' A' ' 72' ' ' ILE . 13.7 mm -86.51 84.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -86.6 93.38 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 10.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 70' ' ' ILE . 2.3 pt -96.51 129.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -128.57 72.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 10.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.7 pp20? -31.02 137.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -145.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 10.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.06 80.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.55 -79.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -155.09 155.86 34.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 10.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 45.82 -100.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 10.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -145.38 173.68 11.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 10.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.56 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -156.09 37.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -84.18 171.31 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 10.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 8.5 t-80 -121.43 63.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.052 HG22 HG23 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -85.83 92.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 10.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 p -155.04 124.15 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -82.66 172.92 12.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.642 ' HA ' HD11 ' A' ' 77' ' ' LEU . 24.7 p30 -155.56 -173.28 4.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.434 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 20.9 t 66.25 57.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 10.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.747 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.85 -152.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.73 -57.53 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.72 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.97 161.23 39.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 10.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 48.32 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 10.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 169' ' ' ALA . . . -97.28 172.51 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.988 ' O ' HD13 ' A' ' 83' ' ' LEU . 13.8 m -98.13 157.72 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -137.08 61.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 116.51 175.08 17.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 10.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 21.0 t80 -149.27 169.6 20.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.48 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 m170 -60.6 168.34 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.636 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . 1.3 pt -52.35 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.55 ' N ' ' HB3' ' A' ' 162' ' ' ALA . 6.6 m-85 -155.95 59.75 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 10.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.846 ' OE2' HD13 ' A' ' 164' ' ' ILE . 2.4 tt0 -165.56 151.43 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 10.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -100.54 105.83 17.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 10.0 109.259 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.731 ' H ' HD21 ' A' ' 190' ' ' LEU . . . 63.4 149.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 10.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 188' ' ' ALA . 0.3 OUTLIER -83.71 102.95 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.003 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.6 m 47.51 58.77 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 91' ' ' GLY . 4.8 p -150.09 21.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -157.14 120.54 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -88.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -170.93 102.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -167.43 -63.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.99 89.27 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 10.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m 52.96 92.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.04 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.21 -58.98 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.22 -104.3 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 10.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 38.09 -154.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.51 1.795 . . . . 10.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -129.27 177.68 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 65.07 160.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.62 2.97 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 10.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 10.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 46.98 89.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.02 75.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -127.56 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 120' ' ' HIS . 23.7 t60 56.23 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 10.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -134.06 113.02 1.12 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.41 -29.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.94 83.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 171.83 6.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.66 11.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.802 . . . . 10.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 15.5 mmt -80.62 -48.69 12.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 85.05 169.94 46.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 10.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.735 ' NE2' ' HB2' ' A' ' 122' ' ' ALA . 6.2 t-80 -165.19 157.33 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 10.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.509 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -145.65 -46.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 10.0 109.596 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.735 ' HB2' ' NE2' ' A' ' 120' ' ' HIS . . . 71.81 -84.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 10.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.49 38.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 10.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.23 149.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 10.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -119.49 147.79 44.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 10.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 147.27 33.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 10.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HG21 ' A' ' 136' ' ' VAL . 79.8 m-20 -82.83 63.3 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.2 pp -164.3 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -112.41 59.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 10.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 77' ' ' LEU . 3.7 t 51.55 176.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.666 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 113.44 -5.9 24.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -157.25 26.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 10.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.82 27.8 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 55.84 29.96 55.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 10.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 63.5 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.696 HG21 ' O ' ' A' ' 127' ' ' ASN . 0.9 OUTLIER -109.32 96.76 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 23.4 p30 -111.06 118.16 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -93.55 110.6 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -153.19 41.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 9.2 mtp -142.43 105.7 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.6 t30 65.31 119.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.665 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -139.23 156.45 72.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 10.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -165.57 68.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 10.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 155' ' ' ILE . 29.8 p -100.55 61.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 68' ' ' LEU . 4.5 pp -90.96 18.76 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.68 9.31 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -62.3 -31.39 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 125.61 45.57 0.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 10.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -172.39 49.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 10.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt 59.27 -87.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -132.61 94.55 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -85.82 31.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.674 HG21 ' HA ' ' A' ' 145' ' ' THR . 1.1 pt -103.17 48.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -83.54 96.67 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.61 99.6 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 10.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 74.62 -56.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 10.0 110.249 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.705 ' HA ' HD13 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -150.29 59.3 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 159' ' ' ASP . . . 2.41 -108.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 10.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.616 ' OG ' HD13 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.53 104.35 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 10.0 109.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . . . -100.31 139.59 35.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 10.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 161' ' ' SER . 33.8 m-85 -148.2 85.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 10.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.846 HD13 ' OE2' ' A' ' 89' ' ' GLU . 5.0 tp -86.92 124.82 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.658 HD13 HG12 ' A' ' 185' ' ' VAL . 1.6 mp -100.61 79.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -176.94 176.44 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 10.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.42 ' N ' ' ND1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 77.7 -4.76 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -137.78 152.35 49.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 10.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.781 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . . . 174.79 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 10.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 55.3 t0 63.12 34.67 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 171' ' ' ASP . 16.1 p-10 -73.93 101.98 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -67.26 78.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.427 ' C ' HG22 ' A' ' 174' ' ' THR . 0.3 OUTLIER -130.14 -62.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.427 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.6 OUTLIER 40.14 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.416 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.499 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.3 m-20 163.47 -52.71 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 10.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.99 -79.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 10.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.3 t -177.51 52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 10.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -63.86 -119.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.135 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 180' ' ' SER . 6.0 m-20 164.6 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.0 OUTLIER 88.13 20.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 10.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.549 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 146.98 102.75 0.31 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 10.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 173.01 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.764 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.7 ptt85 -65.78 129.83 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.984 HG12 HG23 ' A' ' 185' ' ' VAL . 0.3 OUTLIER -146.87 -43.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 184' ' ' ILE . 41.5 t -123.42 166.01 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 164' ' ' ILE . 8.6 p -156.12 179.34 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.526 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 177.7 36.61 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.57 1.169 . . . . 10.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . . . -92.99 97.27 10.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 10.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 189' ' ' LEU . 6.3 tt -106.43 76.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 10.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.731 HD21 ' H ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -86.16 107.55 17.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -45.15 151.89 0.8 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.54 136.54 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 10.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -162.09 135.39 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -166.05 147.07 6.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 10.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -170.31 171.33 6.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.288 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG12 HG22 ' A' ' 36' ' ' VAL . 79.1 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.587 HG22 HG12 ' A' ' 35' ' ' VAL . 22.8 m -128.56 33.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.02 96.98 3.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -138.36 110.66 7.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 10.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -156.1 25.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 10.0 109.995 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' O ' ' CD2' ' A' ' 41' ' ' PHE . . . 60.87 -103.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 29.8 p90 44.21 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 111.047 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.64 -99.83 1.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' N ' ' HA2' ' A' ' 191' ' ' GLY . 0.2 OUTLIER -61.74 -157.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 10.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 177.45 133.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 10.0 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.117 HG21 ' CE2' ' A' ' 163' ' ' PHE . 1.5 t -84.4 99.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 pt20 -72.54 95.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 10.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.766 ' HG ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.85 88.23 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 53' ' ' LYS . 7.2 p -117.63 126.88 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.93 ' ND2' HG21 ' A' ' 185' ' ' VAL . 0.3 OUTLIER -91.15 150.16 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -28.46 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.9 mt-10 -129.55 -52.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.686 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -37.53 -29.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 10.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.932 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.7 tttt 86.74 -41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 10.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 163.58 147.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 47' ' ' LEU . 2.8 m -86.82 -10.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 146.99 -95.14 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 10.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.501 ' H ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 167.43 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 10.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.672 HG12 HD11 ' A' ' 47' ' ' LEU . 10.1 mm -119.48 96.96 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 10.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 10.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -83.46 138.2 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.699 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -124.74 99.03 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.3 mp0 -34.88 127.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.461 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 22.8 t -113.83 -149.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -173.05 78.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.5 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 pt-20 -146.47 149.7 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.81 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . 36.07 -103.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 10.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.821 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -142.39 108.95 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 10.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 1.004 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.6 t70 -95.03 49.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.77 HD13 HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -91.78 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.29 102.21 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.77 HD12 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -138.31 117.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 10.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' A' ' 135' ' ' LYS . 66.6 m -157.13 85.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . -177.57 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -110.68 -10.65 14.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.738 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -130.39 120.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 10.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.766 HD11 ' ND2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -49.07 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.7 ttt180 152.97 -44.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -74.96 64.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.45 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 10.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.818 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -64.04 175.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 10.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 1.021 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.4 m -112.85 112.44 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 10.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.021 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -138.41 133.74 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 10.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.762 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -127.54 132.74 7.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 10.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 -125.93 157.09 38.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 10.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 169.8 121.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 10.0 109.616 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CD1' HD11 ' A' ' 155' ' ' ILE . 1.5 pt -78.14 73.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -154.66 67.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -178.27 -172.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 136.91 39.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.71 117.19 4.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 10.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.93 106.82 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 10.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.0 t -145.66 100.27 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 108.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 96' ' ' PRO . 5.4 p -147.38 151.04 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 1.7 mpt_? -36.67 -55.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 10.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.725 ' HD2' HG13 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -83.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 10.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 70.52 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.46 -30.23 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 10.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.34 172.4 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 10.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.81 168.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 47.19 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -117.55 -118.73 2.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.13 . . . . 10.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . 37.06 -98.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 10.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 106' ' ' ASN . 1.9 m-85 -129.64 65.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 105' ' ' PHE . 5.1 m120 38.84 65.96 2.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 10.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.636 ' HG2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.99 70.08 5.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 10.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -44.27 -91.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER 43.16 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.71 62.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' ASN . 5.8 mm-40 -124.67 -60.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 40.56 51.54 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -108.06 -163.19 21.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 10.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -90.6 -15.21 30.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 175.89 119.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.621 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -176.45 -58.66 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 10.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.0 Cg_endo -75.03 -157.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.787 . . . . 10.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -14.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 10.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 117' ' ' PRO . . . -178.91 -84.73 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 10.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -179.4 171.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 10.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 34.9 m170 62.5 -103.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.636 ' HB1' ' HG2' ' A' ' 107' ' ' PRO . . . -136.58 -67.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -162.8 -42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 10.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.12 125.14 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 10.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 125' ' ' LEU . 1.3 pp -145.02 73.27 14.71 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.5 35.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 10.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.34 70.7 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.68 59.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 10.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 130' ' ' VAL . 3.1 pt-20 -91.13 58.88 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.818 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 35.03 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 90.57 -14.81 61.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 10.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -142.68 15.65 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.26 40.23 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' OG ' ' A' ' 76' ' ' SER . . . 48.12 44.1 25.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 10.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 0.1 OUTLIER -82.76 79.61 9.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.2 t -113.05 100.66 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -94.32 90.37 6.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 10.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 1.044 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.3 m -74.08 104.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 1.044 HD13 ' O ' ' A' ' 138' ' ' VAL . 3.2 mm -138.12 10.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.7 mtm -156.45 158.34 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.4 OUTLIER 77.3 46.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.952 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -138.58 116.48 9.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 10.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.41 63.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.952 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 12.1 p -115.63 39.18 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.43 120.77 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.505 ' CD1' HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -85.52 47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -172.54 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 151' ' ' SER . 0.6 OUTLIER -42.93 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 153' ' ' LEU . . . -54.43 86.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 10.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 149' ' ' LYS . 0.2 OUTLIER 170.83 41.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 10.0 109.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.1 OUTLIER -172.61 -58.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 10.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -56.01 -17.98 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.3 p-10 -80.08 54.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 152' ' ' LYS . 34.6 pt -84.5 -22.28 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 161' ' ' SER . 4.5 pp -111.15 -40.92 4.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 156' ' ' LEU . 7.1 t70 -135.89 148.02 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 10.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.28 -15.86 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 10.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.72 -36.99 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 149.61 -110.85 0.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 10.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 156' ' ' LEU . 68.6 m -138.73 175.1 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 1.117 ' CE2' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -146.55 74.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.944 HG23 ' HA ' ' A' ' 186' ' ' CYS . 3.3 mt -85.02 133.0 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.762 HG23 ' H ' ' A' ' 84' ' ' GLY . 1.2 mp -83.55 112.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.698 ' HA ' HD11 ' A' ' 184' ' ' ILE . 30.1 p-80 -158.47 176.02 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.75 9.39 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 10.0 110.255 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 7.9 mm-40 -96.39 175.45 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -116.28 96.54 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.99 141.2 47.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.05 98.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 172' ' ' TYR . 60.9 t80 -82.43 63.78 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' THR . 27.4 mt -127.68 -53.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 10.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 173' ' ' LEU . 0.8 OUTLIER 38.2 85.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 10.0 110.361 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.512 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.4 m-20 163.99 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.5 Cg_endo -74.97 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 10.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.8 OUTLIER 161.94 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 179' ' ' ASN . . . -73.48 -121.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 10.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.1 p30 158.03 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 10.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 77.9 p -135.0 61.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 10.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 173.39 78.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 10.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.457 ' C ' HD13 ' A' ' 184' ' ' ILE . . . 58.84 156.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 66.77 75.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.698 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -135.14 -98.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 10.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.93 HG21 ' ND2' ' A' ' 49' ' ' ASN . 12.2 t -104.77 149.92 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 10.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.944 ' HA ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -116.65 178.21 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.87 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . 160.42 115.16 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 10.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.958 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -165.24 177.03 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 10.2 mt 63.23 80.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.495 HD23 ' HZ ' ' A' ' 163' ' ' PHE . 17.4 mt -45.54 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 60' ' ' ILE . . . -69.98 82.57 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.122 . . . . 10.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' HB3' HD21 ' A' ' 153' ' ' LEU . 12.6 p30 -109.82 177.84 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -177.85 101.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.75 128.81 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 10.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG22 ' H ' ' A' ' 37' ' ' GLU . 9.0 p -100.43 170.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 10.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.6 tp10 -124.98 -54.11 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 10.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER 37.93 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -116.3 177.8 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -178.63 120.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 10.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 61' ' ' LYS . 7.1 m-85 -82.45 -45.92 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.67 82.34 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 10.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m80 50.08 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 10.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 179.07 122.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.646 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.2 OUTLIER -92.47 94.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -50.41 127.82 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 10.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 mt -93.6 96.13 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG23 ' C ' ' A' ' 53' ' ' LYS . 2.8 p -95.76 106.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.498 ' ND2' HD21 ' A' ' 77' ' ' LEU . 5.5 m-80 -82.62 169.39 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.8 11.08 8.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' HD23 ' A' ' 77' ' ' LEU . 22.7 mm-40 -85.26 15.68 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.69 -60.21 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 10.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.652 ' C ' HG23 ' A' ' 48' ' ' VAL . 18.9 tttm -162.34 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -147.62 141.84 26.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.879 HG11 ' HA ' ' A' ' 77' ' ' LEU . 13.2 m -122.69 -1.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -140.55 -153.72 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 10.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 175.54 168.93 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 10.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.84 HD11 HD11 ' A' ' 47' ' ' LEU . 48.8 mm -95.48 72.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.902 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.1 mt-10 -88.54 68.79 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.775 HG23 HG21 ' A' ' 70' ' ' ILE . 61.2 mt -85.22 121.19 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -124.31 94.43 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 51.4 mm-40 -34.07 128.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -98.96 -150.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -175.7 63.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.92 -72.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 40.8 mt-10 -155.4 151.19 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 10.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.97 -148.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 10.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -99.22 105.75 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.52 38.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.876 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -91.18 175.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.32 99.94 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 10.0 109.567 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.921 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.8 pp -131.16 116.51 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 10.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.683 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 15.2 m -113.12 170.66 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.059 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 163.44 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' C ' HD12 ' A' ' 77' ' ' LEU . 16.8 t30 -134.07 -29.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 10.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.541 ' C ' HG21 ' A' ' 55' ' ' VAL . 3.7 t -67.33 58.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.879 ' HA ' HG11 ' A' ' 55' ' ' VAL . 4.2 mp -77.81 -71.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.569 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.01 -58.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 10.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.715 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.05 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 10.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.83 38.98 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' ' H ' ' A' ' 169' ' ' ALA . . . -82.56 175.38 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 53.9 m -84.53 136.33 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.891 ' HA ' HG23 ' A' ' 165' ' ' ILE . 2.2 mm? -118.23 59.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HD23 ' A' ' 125' ' ' LEU . . . -33.44 149.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 10.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -136.78 122.3 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 10.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 30.4 t-80 86.88 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -139.25 -98.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 10.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' GLU . 68.1 t80 -154.79 173.77 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 88' ' ' TYR . 2.0 pt-20 -73.05 91.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 10.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.61 134.52 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.26 75.62 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.72 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 10.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER 72.54 -65.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 71.9 t -38.84 142.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 94' ' ' VAL . 13.7 tpt180 85.07 100.94 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 90.92 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 10.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' GLU . 1.2 m-20 67.78 -153.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 69.45 -59.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -45.65 160.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 10.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -108.05 117.15 33.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.91 -75.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.95 -109.55 0.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 10.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.98 -123.78 25.59 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 10.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 45.1 p90 -89.28 176.5 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 7.6 p-10 -134.42 108.12 11.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 10.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.91 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -28.76 3.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -152.92 -66.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 13.8 ptpt -119.4 -133.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER 174.61 -68.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 25.4 p-80 -40.33 113.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.588 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -112.64 46.71 1.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 10.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 68.29 -62.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 113' ' ' GLY . 22.3 t-20 -162.75 90.93 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.1 m-20 -156.21 175.05 3.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -75.02 -22.29 14.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 10.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.434 ' HA ' ' CE1' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -110.22 40.83 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' CA ' ' HA ' ' A' ' 112' ' ' HIS . . . -100.2 -73.51 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.107 . . . . 10.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -99.3 -5.58 29.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 10.0 109.57 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 5.6 m-70 38.01 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.622 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -132.0 39.79 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.99 3.47 9.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 10.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 122' ' ' ALA . 11.2 m-20 -77.98 162.72 26.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 167' ' ' GLU . 5.3 mp -135.28 62.56 51.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 10.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 0.9 OUTLIER 152.83 144.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.818 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER 45.43 74.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 10.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.0 pt-20 -98.71 58.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.715 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.5 t 39.51 -151.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.604 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 75.9 -54.14 2.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 10.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 135' ' ' LYS . . . -69.81 -34.61 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.9 OUTLIER 85.11 55.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 10.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 75' ' ' ASN . . . 94.54 74.05 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -112.08 55.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 10.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -149.48 90.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 10.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 15.0 p-10 -136.99 138.05 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.6 m 50.3 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.874 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.26 100.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -84.38 135.85 34.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' MET . 12.7 t30 82.04 84.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.11 154.8 71.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -167.6 46.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.626 ' HB ' HD22 ' A' ' 68' ' ' LEU . 1.1 p -64.19 88.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 148' ' ' LYS . 1.2 m -112.75 65.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 110.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 68' ' ' LEU . 5.2 mt -37.37 -32.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 10.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER 179.73 83.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 10.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -133.11 -78.14 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -57.07 -51.01 59.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 10.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.43 -60.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 0.784 . . . . 10.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 153' ' ' LEU . 45.1 mttt -149.19 164.21 35.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.64 -63.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 24.9 t-20 70.58 20.5 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -139.41 -43.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.839 ' HB2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -84.87 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' ASP . 37.6 t70 -114.05 87.63 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.777 ' O ' HD11 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 59.27 -84.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 157' ' ' ASP . 3.5 m-20 -144.37 54.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -163.33 140.16 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 10.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.911 ' O ' HD23 ' A' ' 190' ' ' LEU . 3.0 t 155.91 143.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 10.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.815 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -158.6 178.3 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 8.7 m-30 -94.32 118.47 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 10.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 165' ' ' ILE . 82.1 mt -90.5 118.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.891 HG23 ' HA ' ' A' ' 83' ' ' LEU . 1.4 mp -96.88 74.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 183' ' ' ARG . 8.0 p-80 -115.43 175.92 5.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.78 ' HB2' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER 67.54 24.29 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 10.0 110.339 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.416 ' HB3' ' O ' ' A' ' 82' ' ' SER . 1.2 pt20 -82.69 167.85 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.655 ' H ' ' HB1' ' A' ' 81' ' ' ALA . . . -68.47 -175.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -65.33 -174.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 28.4 p-10 -155.86 57.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.2 OUTLIER 67.92 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 10.0 111.019 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 173' ' ' LEU . 0.4 OUTLIER 175.89 107.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.781 HG23 ' HD2' ' A' ' 176' ' ' PRO . 0.2 OUTLIER -90.74 -46.41 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.562 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.9 OUTLIER 163.96 -55.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.781 ' HD2' HG23 ' A' ' 174' ' ' THR . 18.3 Cg_endo -74.96 -91.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 10.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 179' ' ' ASN . 0.4 OUTLIER -123.51 65.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 110.014 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' A' ' 170' ' ' ASP . . . 34.85 35.27 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.598 ' HB2' HG21 ' A' ' 174' ' ' THR . 9.5 t-20 33.75 75.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 10.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.85 40.65 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.704 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 131.01 106.71 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 10.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 161.91 133.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 10.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -63.08 114.97 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 10.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -125.43 -42.11 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 10.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.646 HG11 ' HB ' ' A' ' 165' ' ' ILE . 10.6 p -100.62 118.03 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 10.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.89 128.96 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 10.0 108.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.646 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -112.3 -48.5 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.815 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 32.67 54.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 45' ' ' VAL . 55.2 mt -155.59 62.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 161' ' ' SER . 2.1 pp -102.81 133.35 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 110.38 -83.26 0.32 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.484 1.115 . . . . 10.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.04 152.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -93.91 132.66 38.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 173.37 111.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -118.34 -66.81 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 10.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 10.0 110.265 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 37' ' ' GLU . 6.0 p -163.23 176.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 10.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.646 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.6 mt-10 -141.16 179.7 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -145.86 169.96 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.7 m 75.08 141.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.885 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . 168.3 98.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 10.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -133.16 107.61 8.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 10.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.91 -152.28 7.12 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -72.57 -160.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 10.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.65 95.44 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.617 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 17.6 m -132.68 113.3 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -97.47 91.94 5.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 58' ' ' ILE . 3.8 mt -89.0 84.42 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.93 121.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 10.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.931 ' OD1' HD21 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -84.04 107.14 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.54 -94.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 10.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -143.24 -11.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -24.79 -57.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 11.4 tptt 172.52 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . 83.48 153.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.057 HG23 ' HB1' ' A' ' 74' ' ' ALA . 15.4 m -84.58 -32.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.6 -115.31 0.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -170.13 174.45 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 10.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.005 HG23 HG22 ' A' ' 72' ' ' ILE . 21.0 mm -114.13 119.36 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.885 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 31.9 mm-40 -149.22 85.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.918 ' CG2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -100.07 175.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -140.3 109.3 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 10.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.721 ' CB ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -32.33 144.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 10.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -132.36 -149.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -150.77 66.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.26 -70.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.7 tt0 -145.06 -154.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.29 130.12 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 10.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.848 ' O ' HD11 ' A' ' 147' ' ' LEU . 4.9 mp -85.5 84.13 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.658 ' HA ' HG21 ' A' ' 60' ' ' ILE . 7.3 m-20 -160.42 52.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 70' ' ' ILE . 20.4 mm -84.25 56.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.3 m170 154.97 59.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HG23 ' A' ' 58' ' ' ILE . 1.8 pp -114.51 68.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 10.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 48.2 p -83.04 176.19 9.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.057 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 88.47 57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.808 ' ND2' HD13 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -121.81 -15.73 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.4 OUTLIER -145.67 108.11 4.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 10.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.931 HD21 ' OD1' ' A' ' 49' ' ' ASN . 1.2 mp -49.46 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 161.11 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.05 58.84 5.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 10.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 34.11 70.33 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -103.61 175.99 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 10.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.617 ' C ' HD13 ' A' ' 83' ' ' LEU . 16.6 m -121.03 126.11 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.744 HD12 HG21 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -114.7 138.58 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.61 -155.1 24.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 10.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 15.5 p90 -177.77 97.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 1.1 p-80 177.02 116.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 161' ' ' SER . 1.1 tp -81.2 149.52 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -84.27 170.05 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 10.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -114.42 -17.71 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 10.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -105.24 27.62 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 94' ' ' VAL . . . 70.77 160.11 3.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 10.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -83.92 98.18 9.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 10.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.3 m 52.07 64.45 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 108.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.567 HG21 HD22 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -148.65 115.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 63.31 86.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 10.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 10.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -175.13 61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 22.3 p90 -127.46 78.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.16 59.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 10.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.5 m 59.0 104.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 10.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.09 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -81.25 -120.95 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.1 . . . . 10.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.19 178.52 52.43 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -166.77 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 10.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.52 124.69 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.55 107.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 10.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 10.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -153.3 -69.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -167.29 50.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 10.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.419 ' OE1' ' CG ' ' A' ' 118' ' ' MET . 14.5 mt-10 -42.41 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.65 152.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 10.0 109.635 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.31 132.09 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 10.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -52.16 -38.83 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.46 73.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 10.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.27 172.13 3.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 10.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.85 8.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 10.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.419 ' CG ' ' OE1' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -96.54 -25.97 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.994 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 118' ' ' MET . . . 53.79 -164.18 2.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 10.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.463 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 3.9 p-80 -92.78 -99.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 10.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.463 ' H ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -115.68 174.47 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 109.622 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.09 46.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -73.97 5.81 23.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 68.08 111.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . 1.2 pp -84.27 113.61 49.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 128' ' ' LEU . 18.1 Cg_endo -75.05 163.16 35.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.408 1.741 . . . . 10.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.423 ' C ' HD23 ' A' ' 128' ' ' LEU . 87.0 m-20 -87.45 67.29 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 10.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.808 HD13 ' ND2' ' A' ' 75' ' ' ASN . 1.1 mt -109.59 58.33 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 10.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -84.97 92.38 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 81' ' ' ALA . 79.3 t -32.1 140.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 10.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.08 -32.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 10.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -112.37 -62.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 10.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 149.6 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 10.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' SER . . . 72.61 62.79 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -82.57 59.34 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 10.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.43 HG11 ' OD1' ' A' ' 75' ' ' ASN . 1.9 t -134.14 126.48 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -168.48 56.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 137' ' ' ASP . 2.3 t -167.79 166.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -134.28 76.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 10.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 19.05 3.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -170.66 83.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 10.0 109.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.77 123.09 18.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 10.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -178.77 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.6 p -94.97 64.35 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 152' ' ' LYS . 9.9 m -87.45 117.08 26.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 10.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.848 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -112.9 48.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 10.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -128.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 150' ' ' GLY . 0.2 OUTLIER -116.07 84.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 10.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 149' ' ' LYS . . . 37.92 92.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 10.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 -49.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 10.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 146' ' ' SER . 40.2 mmtt -88.29 -27.55 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 10.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -81.79 54.22 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.78 10.48 15.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 10.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.679 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.01 -31.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.679 HD23 ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -124.55 58.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 153' ' ' LEU . 3.6 t0 -133.9 -87.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 157' ' ' ASP . 0.8 OUTLIER -55.16 -29.17 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.46 47.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 10.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -112.83 -155.3 12.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.134 . . . . 10.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.6 t 158.19 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 10.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -83.4 174.9 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.36 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 165' ' ' ILE . 6.6 pt -122.44 139.8 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 165' ' ' ILE . 2.6 mp -117.53 94.28 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 1.1 p80 -144.36 177.7 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' CG ' ' A' ' 168' ' ' GLN . 0.2 OUTLIER 76.54 -0.16 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -153.07 173.05 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.571 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 68.66 87.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -93.89 174.2 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 10.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.456 ' HB3' HD12 ' A' ' 173' ' ' LEU . 7.5 t70 -167.23 178.43 5.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 10.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -71.32 60.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 171' ' ' ASP . 0.4 OUTLIER -129.66 -46.65 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 10.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.431 ' CG2' ' C ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER 40.52 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 110.412 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 171.85 163.41 0.25 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 10.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.03 53.91 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 10.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 158.47 45.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -124.68 -57.03 0.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 10.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.1 t-20 170.05 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.4 t 81.44 42.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . -158.16 102.43 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 52.83 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 10.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.53 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.4 mtm-85 -50.76 126.92 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 10.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.544 ' CD1' HG12 ' A' ' 185' ' ' VAL . 2.5 pp -127.73 -42.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 165' ' ' ILE . 4.3 p -119.82 134.17 64.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 10.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.481 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -155.61 143.56 19.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 108.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 188' ' ' ALA . . . -90.64 -118.69 2.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 172.11 83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.2 OUTLIER -135.71 105.86 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.567 HD22 HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.61 16.52 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 94.19 -112.9 4.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 10.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -106.54 154.15 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -138.86 155.16 48.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 10.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 10.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -146.02 -64.75 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 10.0 110.295 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 35' ' ' VAL . 66.7 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.81 97.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -151.86 170.28 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 10.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.2 t -86.45 169.59 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 10.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -59.81 -58.07 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 10.0 110.021 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 177.57 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 10.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.5 t80 -166.53 172.16 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 83.62 146.2 6.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 10.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.429 ' N ' ' H ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -61.01 178.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 10.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 5.5 p80 -176.65 152.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 10.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.562 HG21 ' HA2' ' A' ' 187' ' ' GLY . 12.5 p -99.01 118.82 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -67.23 99.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 45' ' ' VAL . 14.4 mt -84.76 88.48 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 10.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 9.4 p -114.71 139.99 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.74 164.37 12.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 10.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -54.88 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.4 mm-40 -108.01 -47.71 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -28.98 -47.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 10.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 87.05 -29.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 10.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.35 162.55 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 10.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 HD21 ' A' ' 77' ' ' LEU . 31.5 m -151.49 20.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.33 -151.01 17.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 10.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 p90 -178.82 175.21 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 10.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 7.1 mm -116.94 96.81 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 2.5 mt-10 -138.19 121.64 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 10.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 147' ' ' LEU . 2.7 mt -109.18 142.33 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.98 85.24 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 10.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.82 124.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -147.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -156.13 63.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -135.8 -166.7 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.86 139.0 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 10.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.628 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -86.17 96.48 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 10.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.543 ' HB3' HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -161.84 49.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.708 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 14.0 mm -87.21 53.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.708 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER 149.58 57.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 HG22 ' A' ' 138' ' ' VAL . 2.0 pp -118.35 57.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.42 176.72 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' C ' ' ND2' ' A' ' 75' ' ' ASN . . . -147.09 57.71 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.868 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.44 151.26 24.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.649 ' H ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER 166.31 55.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 109.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.835 HD22 ' CB ' ' A' ' 81' ' ' ALA . 2.8 mp -107.79 -96.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.661 ' N ' HG11 ' A' ' 130' ' ' VAL . 1.5 mtt180 160.22 -50.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 10.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.0 Cg_endo -75.04 52.62 3.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 10.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.23 38.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 10.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.835 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -63.19 159.96 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.85 ' C ' HD13 ' A' ' 83' ' ' LEU . 10.2 m -100.51 128.07 46.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 10.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.997 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -122.34 92.05 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.28 128.42 44.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 86' ' ' HIS . 2.1 t80 -125.63 170.61 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 173.21 174.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.581 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 155' ' ' ILE . 17.5 mm -95.6 -39.23 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 24.7 p90 -151.99 152.15 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -82.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.57 48.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.18 165.67 41.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 10.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.721 ' HB2' ' HB1' ' A' ' 188' ' ' ALA . 3.1 t -84.82 125.17 32.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 127.51 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 95' ' ' ARG . 7.5 p -159.36 -49.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 10.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 94' ' ' VAL . 37.2 mmt180 -65.73 157.26 80.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 121.22 6.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 128.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' SER . 3.4 t80 -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 10.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.9 80.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 10.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' PHE . 80.7 p -177.08 151.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.47 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.75 -105.83 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.5 -173.77 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 10.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.37 164.96 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 10.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.22 162.49 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.21 24.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -42.6 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -92.59 74.68 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.6 pttp -110.64 -133.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER 171.0 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.553 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -44.89 109.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 10.0 109.636 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -140.24 101.91 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 58.07 -83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 10.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 113' ' ' GLY . 5.0 m-80 -175.76 83.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.41 168.04 10.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.0 19.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 10.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.3 ptm -106.64 -19.67 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.57 110.34 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 10.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.577 ' CE1' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER 170.13 161.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 10.0 109.618 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.577 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -119.27 -176.89 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.561 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -140.32 50.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -73.27 4.43 25.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.147 . . . . 10.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.01 123.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 10.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.41 130.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 125' ' ' LEU . 18.1 Cg_endo -75.02 170.95 19.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 10.0 110.983 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -92.96 59.85 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 136' ' ' VAL . 4.7 mt -129.47 59.06 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 4.0 pt-20 -94.85 62.56 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.661 HG11 ' N ' ' A' ' 78' ' ' ARG . 1.5 t 38.56 -147.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.542 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 86.83 -66.57 3.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 10.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -65.33 -38.72 90.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 9.5 m-20 149.41 -14.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.515 ' O ' ' O ' ' A' ' 75' ' ' ASN . . . 87.25 19.55 54.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 10.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -114.93 83.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 10.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 128' ' ' LEU . 0.9 OUTLIER -110.77 117.19 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.24 128.72 54.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 10.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.966 HG22 HD11 ' A' ' 72' ' ' ILE . 2.6 m -111.89 107.88 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -141.48 35.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 141' ' ' ASN . 3.4 ptt? -100.88 126.79 47.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 140' ' ' MET . 1.8 t30 41.28 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.76 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -111.46 145.82 33.36 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.05 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 10.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.91 59.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.76 HG23 ' HB1' ' A' ' 142' ' ' ALA . 46.0 p -53.61 96.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.15 70.46 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 10.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 153' ' ' LEU . 16.4 mt -37.41 -49.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.577 ' HB3' HD23 ' A' ' 153' ' ' LEU . 0.0 OUTLIER 35.45 -156.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -114.18 -31.56 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.649 ' N ' HD21 ' A' ' 153' ' ' LEU . . . 163.75 78.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 150' ' ' GLY . 47.8 t 177.29 -62.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 10.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' LEU . 14.4 mmtt -67.81 -50.22 58.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -38.33 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 26.5 t-20 66.16 10.6 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.24 -24.92 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 155' ' ' ILE . 2.7 mm? -86.57 -162.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 159' ' ' ASP . 19.7 t70 -85.39 74.78 10.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 64.06 -78.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 10.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 157' ' ' ASP . 2.7 p-10 -141.9 50.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 156' ' ' LEU . . . -170.62 -136.97 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 10.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.554 ' OG ' ' CZ ' ' A' ' 163' ' ' PHE . 0.1 OUTLIER -162.0 -171.13 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 10.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -148.83 109.18 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 21.5 m-85 -148.21 81.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.2 pt -92.22 125.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 10.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.997 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -118.53 71.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 10.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 5.3 p80 -136.7 176.9 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 80.05 -11.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 10.0 110.334 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 37.0 mm-40 -142.37 176.07 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . 58.92 -173.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 5.3 t0 80.36 146.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -173.43 59.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.593 ' HB3' HD23 ' A' ' 173' ' ' LEU . 0.9 OUTLIER -82.89 -59.89 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 172' ' ' TYR . 0.2 OUTLIER -102.54 -39.7 6.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 10.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 2.4 t 38.84 57.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 10.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -64.25 -51.31 62.54 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.01 -68.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 6.2 t -171.56 41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 10.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 128.76 124.04 2.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 10.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.2 OUTLIER -42.83 -47.87 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 10.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER 83.94 -10.99 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 10.0 109.969 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 64.52 -74.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 58.21 113.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 182' ' ' ALA . 10.6 ttm180 33.24 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.781 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -135.57 -57.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.781 ' N ' HD12 ' A' ' 184' ' ' ILE . 9.5 p -104.05 154.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 144.3 21.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 108.34 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -101.96 -115.73 4.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 10.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.721 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . 75.53 175.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 10.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 190' ' ' LEU . 5.7 mt 65.54 67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp -38.33 133.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.434 ' O ' ' ND2' ' A' ' 192' ' ' ASN . . . -57.33 -160.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 191' ' ' GLY . 8.6 m-80 76.65 155.9 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -173.46 117.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 10.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.67 169.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 10.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 149.44 49.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 10.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 10.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 35' ' ' VAL . 61.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -171.71 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -170.04 164.33 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 p -136.41 -179.91 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 10.0 110.374 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 34.7 m -68.18 -74.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 71.96 115.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -47.75 -72.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 10.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.81 102.28 1.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.119 . . . . 10.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -97.1 100.1 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 10.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -144.72 57.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 10.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 187' ' ' GLY . 3.6 t -142.25 76.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.58 106.41 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 10.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HG13 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -101.21 87.12 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 53' ' ' LYS . 5.7 t -125.39 100.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 10.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.798 HD21 HD21 ' A' ' 77' ' ' LEU . 18.5 p30 -84.93 170.65 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -91.37 37.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.759 ' OE2' ' HB1' ' A' ' 169' ' ' ALA . 91.8 mt-10 -114.32 -77.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.26 -73.97 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 10.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -169.06 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 10.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -167.56 146.17 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.461 HG12 HD11 ' A' ' 77' ' ' LEU . 11.4 m -84.92 -21.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.41 -129.14 2.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.73 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -172.34 160.84 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 10.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.807 ' CG1' HG11 ' A' ' 45' ' ' VAL . 21.2 mm -122.85 122.93 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.5 mt-10 -129.66 125.29 35.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.37 145.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -176.07 56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.64 ' H ' HD11 ' A' ' 147' ' ' LEU . 1.2 pt-20 -32.45 121.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 10.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -55.19 -56.02 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 10.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.72 -49.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.3 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -97.28 174.83 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' HA2' HG23 ' A' ' 70' ' ' ILE . . . -57.47 84.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 10.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.712 ' C ' HG22 ' A' ' 139' ' ' ILE . 1.7 mm? -114.86 -14.7 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 10.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 6.1 t70 -156.91 24.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -85.02 146.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -127.76 68.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 60' ' ' ILE . 1.2 pp -105.76 68.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 10.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.43 ' HB2' ' N ' ' A' ' 136' ' ' VAL . 27.8 p -147.85 151.96 36.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -115.38 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -12.32 30.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.4 t 59.36 57.78 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 49' ' ' ASN . 1.1 mt 46.01 -92.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 157.76 -51.21 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 10.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 88.98 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.73 68.26 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 10.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 76' ' ' SER . . . -67.88 159.53 30.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 10.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 50.6 m -132.28 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 10.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -92.43 137.54 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.81 -44.44 7.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' A' ' 128' ' ' LEU . 0.5 OUTLIER 60.69 173.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 10.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.473 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.4 OUTLIER 59.32 106.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -150.58 152.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 87' ' ' ILE . 15.0 m-85 -160.55 58.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 10.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER 167.11 47.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 164' ' ' ILE . 12.1 mmmt -139.83 148.99 42.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.595 ' HA2' ' HB1' ' A' ' 188' ' ' ALA . . . 175.5 -38.7 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 10.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -85.92 99.61 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 10.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.431 ' C ' HG12 ' A' ' 94' ' ' VAL . 6.6 m -109.59 156.73 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 10.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 94' ' ' VAL . 4.1 p 41.43 43.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -145.09 146.14 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.76 135.69 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -141.17 77.18 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.64 -75.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 10.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.7 t -165.7 94.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.3 -45.33 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.06 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 10.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.91 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 10.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.27 144.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 10.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 177.73 148.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 10.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.93 -55.79 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 10.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -116.42 82.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 65.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.04 -176.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.8 OUTLIER 67.97 85.0 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.609 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . -116.3 64.72 0.33 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 10.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 0.2 OUTLIER 70.35 -60.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 10.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.75 99.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.376 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLY . 1.2 t-20 -136.14 165.76 33.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.79 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 10.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.33 -4.34 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' ASN . . . -174.04 140.27 5.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -135.41 -47.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 10.0 109.605 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -119.89 158.2 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 10.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.32 7.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 10.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 174.52 -34.82 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 10.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.84 153.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mt -124.38 155.05 69.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -74.96 170.41 20.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.46 66.1 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -136.31 62.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.492 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -153.35 64.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 10.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.9 OUTLIER -153.64 -156.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 10.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.863 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -48.75 -85.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 10.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.24 38.18 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 10.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -72.33 -17.84 61.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -85.43 -1.55 87.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 10.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 58.03 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 10.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.4 t -108.98 91.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.407 ' OD1' ' OG ' ' A' ' 73' ' ' SER . 3.3 m-20 -109.77 116.79 32.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 10.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.9 m -91.66 93.22 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.712 HG22 ' C ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.25 8.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.55 107.4 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 69.85 55.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.6 173.11 7.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 10.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.08 -42.44 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 1.4 m-20 154.74 69.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 10.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 17.9 p -76.94 54.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 152' ' ' LYS . 4.5 m -76.85 112.83 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -118.9 20.45 12.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 50.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 10.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 151' ' ' SER . 19.2 mmtt -152.67 -95.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -67.95 64.66 0.34 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 10.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 149' ' ' LYS . 5.0 t 77.12 59.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 10.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.447 ' HG2' HD23 ' A' ' 153' ' ' LEU . 4.9 ttmt 51.54 -96.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.664 ' HB2' HD11 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -135.85 89.83 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -107.63 30.34 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -7.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.09 -163.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.515 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.55 176.53 8.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 10.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -25.5 26.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 10.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.54 -52.24 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 166.07 -141.67 7.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.152 . . . . 10.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.1 p 158.6 144.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 10.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -158.41 175.45 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 10.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 61.6 m-85 -83.18 95.63 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 10.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.672 HG21 ' NE2' ' A' ' 166' ' ' HIS . 1.8 mp -84.32 144.62 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 83' ' ' LEU . 1.3 mp -116.25 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.672 ' NE2' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -147.4 173.79 12.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 10.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 79.4 -25.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 10.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 5.6 mt-30 -131.5 161.57 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.759 ' HB1' ' OE2' ' A' ' 51' ' ' GLU . . . -141.31 -90.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.78 37.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.27 -76.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -165.43 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.714 HD21 ' HG3' ' A' ' 176' ' ' PRO . 3.4 tp -98.87 -51.53 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.468 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.3 OUTLIER 42.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.567 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.5 OUTLIER 176.09 -55.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.714 ' HG3' HD21 ' A' ' 173' ' ' LEU . 18.1 Cg_endo -75.04 -84.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 10.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -43.92 66.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 52.65 103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 10.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -94.06 32.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 10.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.755 ' HA ' ' HB2' ' A' ' 169' ' ' ALA . 15.5 p -95.67 49.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 184' ' ' ILE . . . -119.84 95.59 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 10.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 166' ' ' HIS . . . -36.28 154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.6 OUTLIER 79.92 58.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.355 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.822 HG12 HG12 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -130.45 -44.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.822 HG12 HG12 ' A' ' 184' ' ' ILE . 0.7 OUTLIER -135.61 144.76 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 10.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.411 ' HA ' HG23 ' A' ' 164' ' ' ILE . 1.6 p -156.47 137.13 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 1.019 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -114.95 13.97 19.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.595 ' HB1' ' HA2' ' A' ' 91' ' ' GLY . . . -49.21 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 10.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' A' ' 91' ' ' GLY . 11.7 mt 57.51 60.93 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 10.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.751 HD23 HG21 ' A' ' 45' ' ' VAL . 29.2 mt -39.77 -32.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 189' ' ' LEU . . . -140.25 -148.56 5.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 10.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 9.3 t30 175.59 -58.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -51.59 167.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 10.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 -68.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 10.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.44 89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 10.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' H ' ' A' ' 36' ' ' VAL . 5.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' H ' HG23 ' A' ' 35' ' ' VAL . 3.2 p -168.9 120.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.762 ' O ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -173.84 144.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 37' ' ' GLU . 14.7 t 50.82 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.622 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER 177.69 85.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 110.013 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 78.63 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.0 p90 -68.62 59.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -36.87 -68.74 0.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -43.72 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 10.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -170.8 160.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 10.0 109.588 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.982 HG11 ' HA2' ' A' ' 187' ' ' GLY . 42.9 t -140.17 138.67 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 10.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.24 105.41 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 10.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -83.41 96.89 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.608 ' N ' HG21 ' A' ' 185' ' ' VAL . 1.1 t -103.82 122.75 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.996 ' ND2' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.93 166.94 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -60.66 -51.3 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 10.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -118.83 -37.21 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -46.8 -35.11 7.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 10.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.8 tptt 91.94 -22.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 10.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . 179.45 141.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 10.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.996 HG12 ' ND2' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -106.34 21.91 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 116.71 -138.91 14.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 47' ' ' LEU . 5.3 p90 -157.76 160.41 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 10.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.82 HD11 HD21 ' A' ' 47' ' ' LEU . 17.9 mm -105.88 137.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 41' ' ' PHE . 24.8 mt-10 -149.56 70.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.932 HG23 HG21 ' A' ' 70' ' ' ILE . 63.3 mt -87.66 106.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -105.89 84.66 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.6 mp0 -30.84 127.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 10.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 13.1 t -103.34 -148.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.29 77.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.95 -82.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 10.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -155.59 157.0 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 145' ' ' THR . . . 42.17 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.882 HD23 ' OG1' ' A' ' 145' ' ' THR . 4.4 pp -153.5 159.35 42.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 139' ' ' ILE . 12.2 t0 -156.97 39.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.932 HG21 HG23 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -84.52 172.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -114.94 66.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.9 121.88 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -80.3 176.42 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.03 -10.26 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 130' ' ' VAL . 29.1 t 45.82 56.79 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 10.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.824 ' CD1' HD11 ' A' ' 83' ' ' LEU . 11.1 mt 39.61 -86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 162.11 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.99 58.82 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 10.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.47 57.75 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.555 1.159 . . . . 10.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -94.13 155.9 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 63.3 m -83.07 92.33 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 10.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.824 HD11 ' CD1' ' A' ' 77' ' ' LEU . 2.5 mm? -98.56 87.71 3.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.88 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 148.53 168.58 14.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 10.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' HIS . 1.4 t80 177.17 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 10.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' PHE . 12.5 t-80 58.13 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 10.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.761 HG23 ' N ' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -61.76 -158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.761 ' N ' HG23 ' A' ' 87' ' ' ILE . 2.9 p90 -86.19 175.12 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.11 -55.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 10.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 99.4 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.24 163.8 6.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 10.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -96.24 -154.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 m -96.86 85.6 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.09 30.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 10.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.54 146.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 10.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -173.76 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.03 108.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.3 175.44 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 10.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.93 -63.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.31 -75.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.96 -109.55 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 10.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.71 83.97 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 10.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.46 100.13 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 179.55 152.55 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.96 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.06 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -149.29 102.63 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -11.65 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 10.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.19 -74.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 10.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 60.63 52.93 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.56 -112.08 4.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 10.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 3.3 t80 56.4 34.19 23.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 10.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 38.8 t30 83.31 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 10.0 109.262 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.78 171.07 4.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.48 9.2 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -36.62 14.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 53.17 91.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 10.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 62.88 148.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 10.0 109.558 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.82 -162.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -158.38 51.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -67.95 -2.4 23.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 10.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.49 159.49 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 126' ' ' PRO . 1.0 OUTLIER -147.53 143.76 18.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 10.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.82 59.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.41 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 16.4 mt -146.47 65.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.3 pt-20 -84.0 56.55 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 76' ' ' SER . 1.5 t 31.65 -144.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 89.96 -36.18 3.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 10.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -125.2 3.58 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 76.9 65.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 10.0 109.364 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.512 ' N ' ' CB ' ' A' ' 76' ' ' SER . . . 40.69 26.95 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' ASP . 12.4 mtpt -88.83 62.97 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 10.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -112.38 161.61 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 0.8 OUTLIER -139.53 89.96 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 10.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 9.8 m -80.08 117.09 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 69' ' ' ASP . 32.0 mm -114.0 -116.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.547 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -81.92 101.93 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 10.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.93 40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 10.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -115.79 166.8 11.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 10.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -158.35 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.882 ' OG1' HD23 ' A' ' 68' ' ' LEU . 15.5 p -117.99 48.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 10.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 145' ' ' THR . 3.2 pp -95.2 39.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -75.61 -139.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 153.95 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 10.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 92.62 -45.96 2.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 153' ' ' LEU . 0.1 OUTLIER -106.92 -8.06 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 10.0 110.033 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.458 ' O ' ' CA ' ' A' ' 147' ' ' LEU . 19.8 mttm 63.07 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 10.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -113.08 -18.9 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 10.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 3.9 t-20 68.17 2.53 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.38 45.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 105.0 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' GLU . 4.7 t70 -83.63 175.38 9.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' ASP . 4.2 mt-10 -37.38 -58.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 189' ' ' LEU . 9.2 m-20 -85.74 -54.75 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 174.79 -122.66 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 10.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.568 ' O ' HD11 ' A' ' 190' ' ' LEU . 2.3 p 157.36 131.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 10.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.897 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -156.68 -179.73 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -82.31 118.23 22.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.22 136.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.88 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.4 mp -121.4 118.95 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 2.9 p80 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 10.0 109.579 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.41 25.06 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.432 ' HG3' ' CB ' ' A' ' 180' ' ' SER . 0.8 OUTLIER -81.42 176.96 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 10.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -133.46 -177.08 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.06 127.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -174.72 -175.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -55.45 -56.2 22.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 10.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.82 -46.61 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 8.2 t 39.39 41.55 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 10.0 110.441 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.515 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.9 OUTLIER -69.24 -51.8 16.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 10.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.02 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 10.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.8 44.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 10.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 75.27 36.33 45.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 10.0 111.042 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 7.7 m120 41.16 70.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 168' ' ' GLN . 0.1 OUTLIER -175.16 73.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.66 25.73 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 10.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -178.3 175.58 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 10.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 4.0 mtp180 -57.66 124.26 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.694 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -119.41 -72.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.694 ' N ' HG22 ' A' ' 184' ' ' ILE . 6.4 p -99.97 139.73 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 28.0 p -158.41 153.17 24.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 10.0 108.317 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.982 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -108.12 -74.98 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 10.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.897 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 25.5 53.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.595 HD23 ' HB3' ' A' ' 159' ' ' ASP . 77.7 mt -158.66 59.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 153' ' ' LEU . 28.8 mt -81.17 -145.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -68.6 -175.93 11.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 10.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.17 -60.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 10.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -51.59 111.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 195' ' ' LYS . 0.1 OUTLIER -161.12 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 10.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 194' ' ' GLU . 9.7 tttt 81.41 130.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 10.0 110.293 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.7 148.14 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 10.0 109.352 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -123.27 178.46 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 37' ' ' GLU . 67.6 p -151.95 -176.56 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 10.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 16.2 m -98.15 -76.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 81.57 110.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 10.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.84 97.3 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.31 -169.79 14.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 18.2 t-160 -106.07 -84.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -167.42 85.11 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 10.0 109.566 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.686 HG11 ' H ' ' A' ' 189' ' ' LEU . 19.4 m -139.51 96.0 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.67 112.65 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -83.83 82.29 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 185' ' ' VAL . 54.4 t -110.25 130.35 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.485 HD21 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.72 164.25 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 179' ' ' ASN . 60.4 mtt180 -84.33 46.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 10.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -124.16 -57.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.19 -77.85 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -173.0 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.917 HG11 ' O ' ' A' ' 75' ' ' ASN . 6.0 m -85.42 -24.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 10.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 154.23 -109.5 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 10.0 111.035 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CD2' ' CG ' ' A' ' 59' ' ' GLU . 13.4 t80 -175.2 156.62 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 10.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 mm -90.04 97.13 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 57' ' ' PHE . 25.5 mt-10 -111.47 69.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.561 HD11 HD22 ' A' ' 190' ' ' LEU . 11.5 pt -82.95 150.47 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -134.28 112.97 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -28.48 140.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -80.34 -171.24 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.94 30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.77 -76.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -153.47 173.47 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 10.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.12 -142.86 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -110.76 105.56 14.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 10.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 9.5 t70 -95.28 41.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.976 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -83.67 175.55 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -131.67 101.16 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 10.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.557 HG21 HG23 ' A' ' 60' ' ' ILE . 2.3 pp -135.14 134.09 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.79 63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -153.07 104.36 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 10.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.917 ' O ' HG11 ' A' ' 55' ' ' VAL . 20.6 m120 -156.78 -39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.972 ' OG ' HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -151.08 109.75 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.994 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 52.6 mt -76.49 42.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.822 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 67.56 40.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 110.242 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.822 ' HD3' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -74.96 -32.04 5.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' H ' HG21 ' A' ' 130' ' ' VAL . . . 98.51 43.08 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 130' ' ' VAL . . . -136.45 179.4 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.779 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.6 m -81.39 159.91 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.972 HD11 ' OG ' ' A' ' 76' ' ' SER . 2.3 mm? -131.72 106.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' N ' ' NE2' ' A' ' 168' ' ' GLN . . . -85.96 106.3 3.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 72' ' ' ILE . 2.9 t80 -128.97 67.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 10.0 111.034 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.75 146.29 30.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.556 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.545 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.78 120.51 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 10.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 t80 -154.6 94.61 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 10.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 12.0 pt-20 38.5 53.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -133.23 170.5 15.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.19 140.78 2.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -154.22 -171.57 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' SER . 3.8 m 87.59 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 94' ' ' VAL . 58.4 t -110.45 50.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 8.1 mmt180 -155.83 102.23 2.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 10.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -170.07 146.47 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 10.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -138.85 43.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -91.51 166.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 10.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 106.98 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.76 82.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.84 159.3 8.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 10.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.13 -145.89 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.413 ' HA ' ' HA3' ' A' ' 123' ' ' GLY . 18.2 Cg_endo -75.02 -169.36 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -154.12 92.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.516 ' O ' HD12 ' A' ' 108' ' ' LEU . 3.7 m120 -142.92 134.9 13.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 4.21 4.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 10.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 106' ' ' ASN . 1.4 mp 43.81 78.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -117.49 -54.63 2.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 10.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.8 28.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.84 -159.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.5 t60 60.66 22.75 12.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.601 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.22 32.44 1.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 10.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 t80 46.67 87.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.18 -38.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.4 OUTLIER 168.28 -53.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.1 Cg_endo -75.01 108.58 2.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 10.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.1 OUTLIER 35.76 43.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 120' ' ' HIS . . . -34.69 128.59 0.6 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' A' ' 119' ' ' GLY . 1.7 t-80 83.22 -54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 10.0 109.639 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.79 -65.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 120' ' ' HIS . . . 61.78 34.27 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 70.01 7.52 59.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 10.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 23.2 t0 80.82 126.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 10.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.16 156.63 50.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.575 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -75.02 68.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 126' ' ' PRO . 51.8 m-20 36.91 58.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 136' ' ' VAL . 14.6 mt -120.91 60.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.578 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.4 pt-20 -84.73 52.1 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 10.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' HB3' ' A' ' 76' ' ' SER . 4.1 p 25.23 -142.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 76.63 -53.6 3.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -71.19 -69.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.0 OUTLIER 154.94 51.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 10.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 45.53 40.72 8.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 10.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 96.81 8.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -109.42 59.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 18.5 p-10 -56.2 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.976 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.1 m 50.42 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -136.81 136.77 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 10.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 141' ' ' ASN . 4.2 mmt -124.52 93.74 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 140' ' ' MET . 13.9 t-20 163.29 64.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.5 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -154.73 145.55 16.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.38 50.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.5 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 6.1 p -85.19 70.84 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 118.69 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -99.33 54.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 152' ' ' LYS . 0.5 OUTLIER -81.11 -115.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 10.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -92.91 173.58 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 10.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -70.97 93.82 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.65 -33.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 10.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.421 ' HB2' ' CE ' ' A' ' 148' ' ' LYS . 2.2 mmtt -97.02 -33.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.5 pp -79.99 49.09 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.33 18.15 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.837 HD13 HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -108.24 -21.4 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 155' ' ' ILE . 5.3 mt -83.98 -138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 160' ' ' GLY . 4.0 t70 -102.0 99.28 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 53.52 -95.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.473 ' O ' ' CA ' ' A' ' 191' ' ' GLY . 2.1 m-20 -119.68 -4.54 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -122.48 -161.9 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.56 -169.25 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 10.0 109.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -155.5 107.98 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.659 ' CD1' ' HB1' ' A' ' 188' ' ' ALA . 19.0 p90 -157.25 60.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.84 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG11 ' A' ' 185' ' ' VAL . 2.2 mp -107.08 77.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.414 ' O ' ' OE1' ' A' ' 168' ' ' GLN . 2.1 p80 -129.14 176.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 10.0 109.637 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 168' ' ' GLN . 4.2 mt-10 61.49 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 10.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.46 ' NE2' ' N ' ' A' ' 84' ' ' GLY . 1.7 mm100 -94.27 175.7 6.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.65 -172.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 180' ' ' SER . 9.3 p-10 -107.4 -173.5 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' ' ND2' ' A' ' 179' ' ' ASN . 6.8 p-10 -125.81 33.66 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 66.25 31.89 8.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 7.3 tp -138.64 79.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.472 ' CB ' ' HA2' ' A' ' 178' ' ' GLY . 7.0 t -103.67 51.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.4 OUTLIER -58.49 -51.91 78.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.95 -81.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 10.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 89.0 p -145.51 24.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' HA2' ' CB ' ' A' ' 174' ' ' THR . . . 88.62 125.23 2.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 10.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 173' ' ' LEU . 1.2 m-20 -83.31 53.83 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 170' ' ' ASP . 89.4 p -154.17 73.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 10.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.99 133.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 10.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 71.93 175.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 10.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 137.74 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -134.6 -45.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.708 HG11 ' HB ' ' A' ' 165' ' ' ILE . 8.1 p -116.39 152.89 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.4 147.73 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 108.278 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 172.47 49.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 10.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' A' ' 163' ' ' PHE . . . -127.11 66.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.686 ' H ' HG11 ' A' ' 45' ' ' VAL . 1.4 mt -113.33 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 10.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 60' ' ' ILE . 12.7 mt -80.12 64.55 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 159' ' ' ASP . . . -156.71 161.54 31.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 10.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -155.04 137.26 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 10.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -47.94 136.6 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -171.55 -63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 24.5 tttt 66.14 119.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 10.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 36' ' ' VAL . 3.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 35' ' ' VAL . 25.9 m -157.77 177.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.42 178.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 10.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 64.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.88 -68.34 0.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 46.82 89.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.33 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 195' ' ' LYS . 0.2 OUTLIER -37.93 -52.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.07 -142.17 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 10.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 169.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 10.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -173.07 144.4 1.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.939 HG21 HD12 ' A' ' 189' ' ' LEU . 10.5 t -110.31 62.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 57' ' ' PHE . 6.1 pt20 -37.84 139.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 10.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' A' ' 74' ' ' ALA . 6.5 mt -91.34 93.61 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.788 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 6.3 m -94.9 91.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.779 ' HB3' HG11 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.07 148.18 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.905 ' N ' ' HB1' ' A' ' 169' ' ' ALA . 0.0 OUTLIER 58.44 128.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' CB ' ' NE ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 34.38 31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 34.44 37.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 10.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.806 ' HB2' HH21 ' A' ' 50' ' ' ARG . 14.0 tptm -78.2 -41.16 35.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 10.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 60.38 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 10.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 77' ' ' LEU . 5.2 m -114.15 5.24 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 74' ' ' ALA . . . -144.04 -153.02 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' C ' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER 161.32 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.571 HD13 ' C ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -106.59 99.61 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' OE2' ' CG ' ' A' ' 57' ' ' PHE . 2.6 mt-10 -151.17 88.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 10.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.854 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -109.16 153.74 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' N ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -175.48 58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.7 mt-10 -137.49 -107.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.87 161.86 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 110.018 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 147' ' ' LEU . 4.7 p30 -155.41 58.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.52 -75.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 10.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.94 129.83 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 10.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.828 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 38.09 82.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 10.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -84.78 -164.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -149.69 55.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.63 176.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -108.37 88.41 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 10.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.658 HG21 HG22 ' A' ' 60' ' ' ILE . 1.9 pp -138.51 102.56 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 107.0 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB3' HD12 ' A' ' 47' ' ' LEU . . . -142.02 81.06 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 10.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.501 ' CB ' ' CA ' ' A' ' 134' ' ' GLY . 72.5 m-20 -158.79 -42.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.475 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.3 OUTLIER -74.47 59.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 10.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.018 HD12 HD11 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -45.54 -92.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 10.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.84 -57.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.03 54.02 3.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.96 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 10.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -72.96 156.21 39.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 10.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.3 m -90.74 132.12 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 10.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.24 125.12 47.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -52.79 -167.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 10.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 88' ' ' TYR . 5.4 p90 -81.78 171.19 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 10.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' ILE . 89.2 m-70 -137.79 159.09 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 10.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' HIS . 1.9 mp 38.96 54.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 10.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -105.03 114.89 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 10.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 44.86 -93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -118.74 -168.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.01 -160.72 28.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.25 167.19 31.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 10.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.93 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 10.0 108.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 94' ' ' VAL . 90.9 t 65.08 50.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 10.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -164.47 111.96 0.89 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -78.44 -178.23 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' ASP . 8.9 m-85 37.65 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.16 -61.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 p -160.95 164.67 30.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.49 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 10.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.22 -127.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 10.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.6 -170.58 13.59 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -79.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 10.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 69.22 154.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.02 134.32 1.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.04 155.12 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 10.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.87 84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 10.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -41.33 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt 61.03 114.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 109.346 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 149.51 4.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 10.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -117.56 0.67 12.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 10.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.52 -72.95 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 10.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.2 t80 -38.59 -50.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 23.0 t-20 83.02 38.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.2 m-20 -77.44 173.06 8.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 10.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.0 -28.53 9.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 10.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.46 13.78 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.8 136.11 0.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 10.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' CG ' ' HB2' ' A' ' 114' ' ' PHE . 16.0 t-160 -52.25 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 10.0 109.564 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.39 118.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 109.62 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.26 -43.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 158.86 -40.44 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 10.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 109.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.81 153.24 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 18.2 Cg_endo -74.98 166.37 29.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 10.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.498 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.1 m-20 -100.31 175.76 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 10.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 133' ' ' ASP . 1.3 mp 76.47 119.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 10.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.34 60.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.623 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.4 t 48.18 -149.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 58.88 29.74 65.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 10.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 88.3 -13.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 10.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 1.2 t70 -70.84 -2.27 14.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.501 ' CA ' ' CB ' ' A' ' 75' ' ' ASN . . . -120.42 0.35 12.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.99 66.49 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 99.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 138' ' ' VAL . 11.3 p-10 -140.85 154.58 46.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 137' ' ' ASP . 13.8 m 46.48 102.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 142' ' ' ALA . 2.6 mp -88.73 154.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 10.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtm -136.82 21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.614 ' H ' HG22 ' A' ' 139' ' ' ILE . 1.4 m120 164.32 68.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.891 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.68 -178.64 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.891 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.96 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 10.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 t70 176.56 61.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.411 ' OG1' HD22 ' A' ' 68' ' ' LEU . 39.1 p -76.25 69.29 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 10.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -83.61 83.89 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.867 ' O ' HD23 ' A' ' 153' ' ' LEU . 11.7 mt -64.04 -11.99 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.01 82.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -169.23 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -44.11 -51.82 7.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.114 . . . . 10.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.26 -63.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 10.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER 179.81 172.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 10.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 147' ' ' LEU . 2.9 pp -67.23 68.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 152' ' ' LYS . 44.1 t30 -85.0 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.801 HD13 ' C ' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -109.59 -21.12 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 10.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 153' ' ' LEU . 3.0 pp -116.04 -158.6 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 156' ' ' LEU . 24.2 t70 -83.71 151.98 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -47.62 -23.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -84.77 -67.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.667 ' C ' HD13 ' A' ' 156' ' ' LEU . . . -170.49 -165.73 28.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 10.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.662 ' C ' ' HB1' ' A' ' 188' ' ' ALA . 17.9 p -53.9 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 10.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -141.93 106.47 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.787 ' H ' ' HB2' ' A' ' 188' ' ' ALA . 17.3 m-85 -146.18 78.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.5 mm -97.18 129.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 10.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.75 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.5 mp -116.07 124.17 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -155.58 178.46 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.562 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 82.33 -16.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 4.4 mt-30 -156.23 176.98 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.905 ' HB1' ' N ' ' A' ' 50' ' ' ARG . . . 73.27 113.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 10.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.463 ' N ' ' HA ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -78.48 154.47 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 10.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 172' ' ' TYR . 3.1 m-20 -132.29 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.519 ' C ' ' O ' ' A' ' 171' ' ' ASP . 18.1 t80 -27.24 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 10.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.471 ' O ' ' HB ' ' A' ' 174' ' ' THR . 6.8 tp -153.57 -86.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 173' ' ' LEU . 0.6 OUTLIER 176.44 173.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 110.41 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 174' ' ' THR . 1.0 OUTLIER 66.49 150.81 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.88 20.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.8 m -108.15 6.9 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 10.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.66 ' O ' HG22 ' A' ' 184' ' ' ILE . . . -101.37 -32.95 5.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 10.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.3 p-10 -141.08 108.66 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 10.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 t 90.23 52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 152.27 132.53 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 67.55 174.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 10.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.426 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 7.2 ttm180 -52.15 129.9 28.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 178' ' ' GLY . 1.6 pp -137.33 -53.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 49' ' ' ASN . 6.2 p -109.16 130.68 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.45 172.26 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 10.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . 152.69 133.99 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 10.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.787 ' HB2' ' H ' ' A' ' 163' ' ' PHE . . . 179.34 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.939 HD12 HG21 ' A' ' 45' ' ' VAL . 24.5 mt -134.3 69.62 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 156' ' ' LEU . 49.8 mt -38.94 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 10.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -40.78 150.48 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 10.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.86 -66.41 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 10.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -172.91 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -162.57 158.12 23.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 10.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -78.44 159.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.29 -0.634 . . . . 10.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -113.67 152.8 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.57 97.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 10.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 p -143.01 164.78 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -119.99 -178.88 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.47 -98.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 10.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -151.74 -175.32 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.04 135.17 8.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 2.1 m80 -87.5 -32.88 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 10.0 109.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 63.04 148.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 10.0 109.624 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.779 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.3 OUTLIER -102.62 176.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -98.87 99.88 11.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 10.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 58' ' ' ILE . 1.2 mt -98.33 86.68 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 53' ' ' LYS . 7.0 t -115.21 120.64 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.834 ' CG ' HG11 ' A' ' 185' ' ' VAL . 3.1 m120 -105.06 168.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.08 31.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' GLY . 3.0 pp20? -95.73 -43.14 8.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 51' ' ' GLU . . . -146.98 -57.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.771 ' O ' HG13 ' A' ' 48' ' ' VAL . 3.1 tttt -178.25 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -142.9 166.28 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 77' ' ' LEU . 14.6 m -133.79 -1.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 75' ' ' ASN . . . 136.63 -153.05 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 51.1 m-85 -157.11 175.45 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 10.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.768 ' CD1' HD11 ' A' ' 47' ' ' LEU . 20.9 mm -111.89 90.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -112.82 99.76 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 10.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -99.43 152.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -133.84 108.9 8.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -35.15 140.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 10.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 69' ' ' ASP . 9.5 t -103.12 -155.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.48 39.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -85.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -104.05 -157.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 10.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.736 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -40.31 -71.61 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 10.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.633 HD23 HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -156.29 148.57 23.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 10.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' OG ' ' A' ' 63' ' ' SER . 20.3 p-10 -139.32 48.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.2 pp -82.22 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -126.11 80.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 10.0 109.578 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 2.3 pp -109.91 95.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.486 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 8.0 p -125.8 90.42 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 10.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -63.27 90.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 133' ' ' ASP . 0.1 OUTLIER -132.5 134.95 45.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 10.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HB2' ' N ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 168.98 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.657 HD23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -142.76 -95.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 10.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER 158.65 -56.14 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 10.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 9.44 2.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 10.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 1.012 ' O ' HD21 ' A' ' 83' ' ' LEU . . . 67.49 -65.3 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.654 ' N ' HG22 ' A' ' 130' ' ' VAL . . . 59.13 175.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.4 m -83.88 105.45 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -106.72 91.49 3.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 10.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.85 156.25 4.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 10.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 1.4 t80 178.16 104.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.56 146.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 10.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -59.95 92.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -137.32 152.2 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 110.956 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.35 129.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 10.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -92.76 97.38 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 126.6 170.91 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p -97.3 142.91 28.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 10.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -47.17 -48.71 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -64.54 164.79 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 61.17 82.83 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.769 . . . . 10.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p30 176.87 95.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 10.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.32 100.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 10.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.05 126.15 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 10.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.4 p -135.85 161.82 34.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.93 -58.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.25 128.99 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.32 -81.84 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.29 10.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -129.85 110.24 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 109' ' ' ASN . 17.3 t-20 -175.9 103.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -38.97 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 10.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.56 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 58.2 t30 45.42 51.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.17 -34.15 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 1.6 mm-40 -96.59 -77.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 14.0 p-80 47.78 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 126.54 -175.31 17.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 10.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.575 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 0.4 OUTLIER 79.23 -46.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 0.739 . . . . 10.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 14.8 t-20 87.99 82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 10.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.3 m-20 -149.18 175.51 2.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 10.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.5 Cg_endo -74.92 -15.23 21.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 10.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 mtt -121.56 28.28 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.75 94.01 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER 170.82 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 10.0 109.62 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.09 -158.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 10.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -114.58 -103.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 67.27 -41.92 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.567 1.167 . . . . 10.0 111.04 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 122' ' ' ALA . 7.3 t0 81.67 159.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 10.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 156.55 43.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 177.96 7.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 10.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 34.7 m-20 -95.18 59.12 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -122.49 58.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 130' ' ' VAL . 2.5 mm-40 -93.64 64.77 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 80' ' ' GLY . 37.3 t 58.04 157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.28 -103.59 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 10.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.695 ' HB3' ' CG ' ' A' ' 135' ' ' LYS . . . -91.57 32.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 3.9 m-20 86.82 35.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 10.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.489 ' HA3' ' CD1' ' A' ' 83' ' ' LEU . . . 81.08 53.77 3.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.695 ' CG ' ' HB3' ' A' ' 132' ' ' ALA . 53.6 mttt -90.96 93.43 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 10.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.678 HG11 ' HB3' ' A' ' 128' ' ' LEU . 1.5 m -136.29 84.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 10.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.701 ' C ' HG23 ' A' ' 138' ' ' VAL . 2.8 p-10 -134.7 175.94 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.834 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER 60.19 154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.834 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -128.45 -167.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 10.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.2 mtt -149.8 19.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.6 m-20 156.23 146.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.736 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -153.9 149.74 21.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.43 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 10.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.9 t0 176.32 64.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.58 ' OG1' HD12 ' A' ' 68' ' ' LEU . 25.3 p -105.65 51.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 10.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -60.81 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 147' ' ' LEU . 3.0 pp -96.82 51.21 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -94.48 175.01 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 10.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' LYS . 2.5 mmtt -38.86 141.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.459 ' HA2' HD11 ' A' ' 153' ' ' LEU . . . -36.8 102.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.091 . . . . 10.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.83 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -99.88 -35.7 9.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.377 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 1.026 ' HB2' HD11 ' A' ' 156' ' ' LEU . 1.3 pp -76.28 56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 154' ' ' ASN . 0.7 OUTLIER -107.11 22.6 15.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -22.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -90.32 -136.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.623 ' N ' HD23 ' A' ' 156' ' ' LEU . 52.8 t0 -84.76 58.44 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 64.61 -75.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.2 m-20 -137.57 40.98 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.72 24.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 10.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -92.8 -173.4 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 10.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.95 110.48 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 26.2 m-85 -150.09 80.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 186' ' ' CYS . 5.4 pt -84.18 122.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.784 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.6 mp -98.78 135.28 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -176.93 175.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.21 17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 10.0 110.247 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 0.6 OUTLIER -83.1 175.48 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 10.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -113.48 129.06 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 6.4 t70 -43.33 -72.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 170' ' ' ASP . 2.2 t0 160.17 85.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 10.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.3 t80 50.45 22.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 10.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 173' ' ' LEU . 2.2 tp -172.44 101.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 175' ' ' ASN . 8.2 t -94.15 -57.7 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.576 ' N ' HG23 ' A' ' 174' ' ' THR . 1.0 OUTLIER 51.06 168.71 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 10.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.45 3.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 10.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 178' ' ' GLY . 8.8 p -176.96 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 177' ' ' SER . . . -36.03 -94.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 10.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 168' ' ' GLN . 2.7 t30 -179.51 116.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 41.9 t -106.5 15.18 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 10.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 82.65 116.06 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 174.9 145.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 10.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 1.6 ptm180 -39.07 106.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 10.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 185' ' ' VAL . 1.9 pp -136.49 -49.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.834 HG11 ' CG ' ' A' ' 49' ' ' ASN . 13.9 p -112.58 152.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.845 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -156.05 153.94 30.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 10.0 108.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.779 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -109.49 -91.82 2.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 10.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 55.28 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 191' ' ' GLY . 4.3 mt 53.62 81.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp -65.39 74.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 189' ' ' LEU . . . 110.8 133.65 6.43 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.491 1.119 . . . . 10.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -80.92 123.09 28.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.796 . . . . 10.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -171.35 -49.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.91 107.71 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 10.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -103.78 -2.17 26.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 10.0 110.286 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 p -163.64 163.68 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.09 144.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 10.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.3 p -148.17 177.51 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -137.96 169.82 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 10.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.7 -87.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.59 170.46 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 10.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.96 152.34 43.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 p80 173.15 -177.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 10.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 72.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.531 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 187' ' ' GLY . 96.2 t -126.31 76.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.427 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -93.56 118.43 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -90.19 73.74 7.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.7 p -99.86 103.19 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 10.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.764 ' CG ' HG11 ' A' ' 185' ' ' VAL . 3.2 m-80 -94.99 171.54 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 10.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.93 12.3 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.36 -36.2 74.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.15 -45.88 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -141.87 -104.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 10.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -151.44 170.82 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 83' ' ' LEU . 4.4 m -83.37 -13.29 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.92 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 10.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 1.2 p90 177.66 160.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 10.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 47' ' ' LEU . 14.7 mm -115.02 92.32 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 10.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.39 81.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 10.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.606 HG22 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -88.45 156.55 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -147.13 116.68 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 148' ' ' LYS . 1.2 pp20? -38.03 132.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 10.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.495 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 60.4 p -97.59 -165.55 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 10.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -166.76 61.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.15 -71.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 10.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 mp0 -123.78 -168.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 10.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.01 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 10.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.06 HD13 HD13 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -127.71 149.85 50.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 10.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 1.5 m-20 -154.86 39.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.94 ' CD1' HG23 ' A' ' 72' ' ' ILE . 2.6 pp -83.38 179.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.404 ' HA ' HG12 ' A' ' 138' ' ' VAL . 1.7 t-160 -113.42 108.87 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.572 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' CD1' ' A' ' 70' ' ' ILE . 2.3 pp -129.56 119.42 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.619 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -155.3 100.45 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 10.0 109.998 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -171.29 113.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' CA ' ' HB ' ' A' ' 55' ' ' VAL . 27.5 m-20 -137.3 -173.11 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.852 ' O ' HG13 ' A' ' 130' ' ' VAL . 2.3 m -64.94 113.15 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 10.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -94.71 37.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 173.57 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 10.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.03 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.591 ' HA2' HG21 ' A' ' 130' ' ' VAL . . . -65.82 55.73 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 10.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 169' ' ' ALA . . . -112.75 -179.65 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.2 m -79.39 121.58 25.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 10.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 76' ' ' SER . 3.2 mm? -85.25 72.01 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -27.45 97.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER -117.75 95.93 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 10.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.13 141.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.46 112.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -110.24 121.53 45.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.39 176.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -116.31 148.79 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.1 87.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -120.8 -172.7 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.048 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB2' HD21 ' A' ' 189' ' ' LEU . 1.1 m 68.92 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' SER . 17.5 m -102.09 49.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.7 mmt-85 -149.78 87.15 5.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 10.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.91 169.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 10.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -175.77 77.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 19.67 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 10.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.81 177.34 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.69 80.82 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.44 -147.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 10.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.06 151.35 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -77.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 10.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 66.07 168.77 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -127.45 100.55 25.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.51 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 165.38 90.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -116.32 84.72 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 10.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.0 110.25 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 50.11 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 10.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 119' ' ' GLY . . . -120.77 -116.78 2.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.455 1.097 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -162.26 43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 10.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 116' ' ' ASN . 57.6 t-20 -171.09 -71.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.58 1.175 . . . . 10.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.544 ' HB3' ' HD3' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 155.12 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.03 -80.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 10.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.2 mtm -76.59 5.18 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.458 ' CA ' ' HA3' ' A' ' 113' ' ' GLY . . . -107.49 60.71 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 10.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -145.87 144.82 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 10.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -135.54 174.02 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 10.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.37 -56.64 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 10.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.88 -40.06 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 10.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -131.69 120.09 22.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 0.766 . . . . 10.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.2 pp -109.83 112.69 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.5 Cg_endo -74.94 165.59 31.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 10.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -74.05 90.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -172.67 60.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 130' ' ' VAL . 1.2 pt-20 -93.18 54.41 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 76' ' ' SER . 1.9 t 36.11 -156.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.748 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 79.73 -9.34 44.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 10.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 135' ' ' LYS . . . -132.24 6.95 4.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 10.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 6.2 p-10 39.53 61.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 10.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 75' ' ' ASN . . . 105.15 69.87 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 10.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -139.59 175.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.329 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.555 ' O ' ' C ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 173.01 173.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.555 ' C ' ' O ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -27.13 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 1.06 HD13 HD13 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -84.88 -146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.468 ' H ' HG22 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -149.92 -176.22 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.994 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' MET . 42.5 t-20 -40.6 118.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.591 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -108.24 141.42 23.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 145' ' ' THR . 18.3 Cg_endo -74.98 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.555 1.818 . . . . 10.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 143' ' ' PRO . 6.4 t70 31.18 49.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 155' ' ' ILE . 0.8 OUTLIER -132.14 38.13 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 10.0 110.38 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -71.1 132.8 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 10.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.676 HD11 ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.99 -26.11 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 117.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.21 -79.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -110.07 -41.98 1.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 10.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.47 74.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.727 . . . . 10.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.92 -151.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -82.58 -79.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.3 t-20 80.5 32.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.893 HG23 HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -138.3 -43.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -100.84 -154.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.0 OUTLIER -83.38 118.51 23.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 10.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.576 ' C ' ' O ' ' A' ' 157' ' ' ASP . 27.9 mt-10 -22.67 -55.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 157' ' ' ASP . 97.5 m-20 -127.74 53.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 10.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 157' ' ' ASP . . . -169.55 130.51 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 10.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 190' ' ' LEU . 0.0 OUTLIER 172.07 103.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 10.0 109.972 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.618 ' HB3' ' N ' ' A' ' 188' ' ' ALA . . . -158.17 176.12 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 85' ' ' PHE . 22.1 m-85 -93.17 109.56 21.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.512 HG22 ' HB2' ' A' ' 186' ' ' CYS . 1.0 OUTLIER -87.49 117.22 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.597 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -102.38 124.22 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 0.3 OUTLIER -179.58 176.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.62 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 78.21 -7.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 4.8 mt-30 -143.76 176.18 9.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 10.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.912 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . . . 66.26 93.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.64 111.04 21.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.39 -61.36 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -178.83 -52.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.88 67.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.48 ' CB ' ' HA3' ' A' ' 178' ' ' GLY . 7.9 t -93.52 45.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 10.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.5 OUTLIER -76.0 -51.52 2.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.4 Cg_endo -75.01 -53.2 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.75 58.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.6 ' O ' HG21 ' A' ' 184' ' ' ILE . . . -60.97 -105.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 10.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 34.7 t-20 -126.87 -43.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 10.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 31.1 t -91.54 32.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.613 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -145.66 89.08 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 10.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 78.15 169.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.508 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -71.06 134.89 47.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.827 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -131.36 -47.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.764 HG11 ' CG ' ' A' ' 49' ' ' ASN . 4.3 p -102.76 129.03 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.512 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.04 147.3 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 10.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.82 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -145.54 16.73 1.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.978 ' C ' HD22 ' A' ' 189' ' ' LEU . . . -69.53 61.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 10.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.978 HD22 ' C ' ' A' ' 188' ' ' ALA . 2.9 mm? -140.28 58.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 10.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 45' ' ' VAL . 67.2 mt -76.52 93.83 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -81.31 161.88 43.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 10.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.62 169.0 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.12 -53.98 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 66.08 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 10.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -61.43 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 10.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 36' ' ' VAL . 14.3 p -165.63 110.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 10.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.84 106.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -172.36 142.71 1.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.424 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' ALA . 67.2 m -74.02 -79.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 39' ' ' SER . . . 61.74 123.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -102.56 44.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 59' ' ' GLU . . . -59.79 128.9 47.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -50.5 175.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 10.0 109.559 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 189' ' ' LEU . 15.7 t60 -96.57 60.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 10.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.05 105.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -108.75 131.3 55.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.909 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.04 99.0 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.81 ' O ' HG12 ' A' ' 185' ' ' VAL . 2.5 p -109.83 136.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.644 ' OD1' HG11 ' A' ' 185' ' ' VAL . 15.9 m-80 -89.98 128.48 36.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 10.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CB ' ' OD1' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -38.93 -34.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -107.37 -58.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.08 -47.85 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.9 tttm 91.92 8.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.752 ' HB2' ' CB ' ' A' ' 48' ' ' VAL . . . 84.97 133.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 15.3 m -145.04 18.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.567 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -142.92 -152.48 5.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 162.23 169.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 10.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 72' ' ' ILE . 21.8 mm -107.85 107.05 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE2' ' CE1' ' A' ' 57' ' ' PHE . 6.5 mt-10 -121.47 79.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 10.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.748 HG22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -83.94 165.78 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 10.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.665 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -148.58 62.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -9.82 109.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -95.2 -169.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 10.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -139.85 80.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.18 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 10.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -127.01 -172.29 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 10.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.673 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -44.35 -45.15 8.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 10.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -141.02 145.88 36.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' CA ' HG22 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -157.43 28.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.029 HD13 HG23 ' A' ' 72' ' ' ILE . 1.4 pp -84.57 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.496 ' N ' HD12 ' A' ' 70' ' ' ILE . 2.1 t-160 -130.84 96.61 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.029 HG23 HD13 ' A' ' 70' ' ' ILE . 2.6 pp -123.31 125.91 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -156.35 142.39 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 10.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -105.31 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 2.5 t-20 -97.5 -147.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 ' HB1' ' A' ' 74' ' ' ALA . 5.9 mp -45.21 -87.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.857 ' O ' HG11 ' A' ' 130' ' ' VAL . 5.2 mmp_? -113.32 157.25 41.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 10.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.26 41.03 60.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 10.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.88 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -82.77 177.73 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 1.5 m -135.6 119.81 17.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 10.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.92 79.14 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.5 -169.28 42.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 10.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.21 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.61 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.628 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.2 mm -40.79 103.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -119.7 139.06 52.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 pt-20 -105.22 59.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.68 57.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.91 109.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -91.72 139.68 30.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 10.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.404 ' C ' HG23 ' A' ' 94' ' ' VAL . 1.7 t 65.86 88.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 95' ' ' ARG . 2.0 t 61.09 -178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 85.6 mmt-85 43.88 83.19 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 10.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 111.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 10.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.27 30.45 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.49 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m 177.14 102.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.57 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.6 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.13 -84.56 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 10.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 0.4 OUTLIER -101.81 150.82 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER 162.17 -51.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -74.98 54.94 3.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 10.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -159.01 -60.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -159.96 -45.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.27 164.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.38 26.07 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 10.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 72.8 -104.06 1.47 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 10.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 2.8 t80 71.15 -58.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 10.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.53 54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.36 169.64 6.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.02 15.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 10.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.33 -26.52 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 68.5 -174.6 31.21 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 10.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -171.59 1.94 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 10.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -56.69 175.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.03 44.85 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.61 7.23 20.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.54 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 108.79 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.31 41.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 10.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -84.82 66.2 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 10.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.874 ' HB3' HG12 ' A' ' 136' ' ' VAL . 21.2 mt -141.92 59.67 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.07 74.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.88 HG21 ' HB3' ' A' ' 81' ' ' ALA . 2.0 t 49.66 -143.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.561 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 77.02 -59.29 3.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 10.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.07 -68.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ALA . 3.2 m-20 176.8 33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 48.93 28.6 7.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 10.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -82.74 84.24 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 10.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.874 HG12 ' HB3' ' A' ' 128' ' ' LEU . 8.6 m -93.39 167.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.4 p-10 -165.88 110.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 138' ' ' VAL . 5.7 m -108.77 106.33 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.569 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -152.76 47.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.769 ' O ' HD21 ' A' ' 68' ' ' LEU . 3.8 mtt -84.4 124.98 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 10.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 140' ' ' MET . 23.0 t-20 -36.32 98.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.616 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -107.48 161.38 23.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 10.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.55 68.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.687 ' O ' ' CB ' ' A' ' 146' ' ' SER . 2.1 p -115.01 55.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.687 ' CB ' ' O ' ' A' ' 145' ' ' THR . 7.8 t 103.49 175.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 10.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.743 HD22 ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 25.61 73.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 10.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -145.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 151' ' ' SER . 10.3 mmtt -124.19 -106.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 10.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 151' ' ' SER . . . -66.84 60.67 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 10.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.513 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.4 OUTLIER 164.09 -48.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 10.0 110.007 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 151' ' ' SER . 4.0 pttt 32.1 -145.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 10.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -76.27 56.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 151' ' ' SER . 6.8 p-10 -79.61 7.53 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.6 pt -85.69 23.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.988 ' O ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -80.96 103.7 10.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 10.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.53 -92.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.0 -68.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.17 20.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.12 -131.19 3.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 10.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.5 p 172.66 138.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 10.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -154.42 176.87 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -112.26 135.83 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.94 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -104.53 114.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 185' ' ' VAL . 3.8 mp -90.58 118.69 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.773 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -174.77 178.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 109.575 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.7 OUTLIER 78.67 2.76 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 10.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 1.1 pt20 -84.08 176.89 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 171' ' ' ASP . . . -76.24 -30.21 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 179' ' ' ASN . 17.3 m-20 57.24 -89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.866 ' OD2' HD13 ' A' ' 173' ' ' LEU . 59.1 t0 -148.48 147.22 28.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' A' ' 171' ' ' ASP . 2.6 t80 -78.21 64.21 3.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.866 HD13 ' OD2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -153.62 53.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 13.9 t -80.08 -4.97 54.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 10.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.602 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -81.35 -57.8 0.53 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.94 53.1 3.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 10.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 14.1 m 43.1 68.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 179' ' ' ASN . . . -110.68 -131.15 5.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 10.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.665 ' HB3' HG21 ' A' ' 184' ' ' ILE . 2.3 m-20 -135.23 -142.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.743 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER 86.92 38.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 150.09 139.82 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 10.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.31 158.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 10.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -38.65 136.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.711 HD12 HG22 ' A' ' 185' ' ' VAL . 1.3 pp -139.58 -61.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 48' ' ' VAL . 4.3 m -126.25 104.54 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 10.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.43 137.12 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 108.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -98.64 -49.48 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 10.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.824 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 60.19 154.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 10.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 189' ' ' LEU . 11.8 mt 58.64 92.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 191' ' ' GLY . 4.2 pp -59.61 -162.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.665 ' N ' HD12 ' A' ' 190' ' ' LEU . . . -111.32 96.67 0.9 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 175.95 175.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 10.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -161.02 90.01 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.32 159.55 15.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 10.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -94.03 143.69 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.576 HG23 ' H ' ' A' ' 36' ' ' VAL . 11.9 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.346 -0.613 . . . . 10.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 ' H ' HG23 ' A' ' 35' ' ' VAL . 14.7 p -166.91 158.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.27 171.74 10.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 10.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 t -161.03 173.57 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m 62.01 115.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -166.77 92.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 10.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.07 108.29 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.03 171.15 44.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.88 -66.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 10.0 109.634 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 73.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 187' ' ' GLY . 1.4 p -116.67 110.19 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.16 98.68 8.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 10.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -83.66 87.33 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 53' ' ' LYS . 5.2 t -115.0 140.74 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' OD1' ' CD1' ' A' ' 83' ' ' LEU . 2.8 m-80 -97.46 -12.78 22.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.607 ' H ' HG12 ' A' ' 48' ' ' VAL . 2.3 ttt-85 82.09 21.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 10.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -115.91 -97.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 10.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.6 -67.96 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 10.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.7 tptt -174.28 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 10.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 170.63 159.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 77' ' ' LEU . 22.5 m -85.07 -35.23 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . 159.75 -118.99 0.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 10.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 26.2 t80 178.55 164.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 10.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.085 HG23 HD12 ' A' ' 72' ' ' ILE . 6.0 mm -94.02 77.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 92.26 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.913 HG23 HG21 ' A' ' 70' ' ' ILE . 7.3 mt -90.31 129.84 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 10.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -116.73 66.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 10.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -21.98 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -110.55 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.994 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.15 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -138.01 -85.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE1' ' ND2' ' A' ' 141' ' ' ASN . 9.3 mt-10 -150.97 147.44 27.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.799 ' C ' HD23 ' A' ' 68' ' ' LEU . . . 34.19 -108.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 10.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -141.18 106.72 5.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 0.761 . . . . 10.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.606 ' HA ' HG23 ' A' ' 139' ' ' ILE . 14.9 p-10 -106.39 41.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.913 HG21 HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -98.29 178.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 137' ' ' ASP . 0.3 OUTLIER -109.86 85.41 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 10.0 109.594 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.085 HD12 HG23 ' A' ' 58' ' ' ILE . 11.0 mm -87.42 76.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.704 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 1.5 p -116.04 157.53 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 161.9 70.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.509 ' N ' ' HB ' ' A' ' 55' ' ' VAL . 26.2 m-20 -161.4 -25.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.2 OUTLIER -70.35 63.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 10.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 55' ' ' VAL . 1.9 mt -59.14 -66.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.584 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -179.83 -59.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.671 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.02 -159.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.15 37.17 3.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 10.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 170' ' ' ASP . . . -80.39 177.17 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -91.04 122.16 33.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 10.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 mm? -121.64 70.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.63 127.4 42.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 10.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -165.83 156.24 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER 165.17 175.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.7 mm -115.11 106.25 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -149.56 169.07 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.72 111.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 10.0 110.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' NZ ' ' H ' ' A' ' 102' ' ' GLY . 5.0 tptp -150.72 -141.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.19 -171.56 31.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 10.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.468 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 7.2 t -93.11 130.93 38.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 10.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' C ' HG22 ' A' ' 94' ' ' VAL . 89.0 m -49.77 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 93' ' ' CYS . 5.0 m 41.25 55.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 45.97 95.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.07 -49.66 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 10.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 162.11 -60.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' ' NH2' ' A' ' 183' ' ' ARG . 22.7 t80 -176.07 -49.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 10.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.65 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.5 p -166.99 177.44 6.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 105' ' ' PHE . . . 56.0 102.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.525 ' H ' ' NZ ' ' A' ' 90' ' ' LYS . . . -85.1 -99.98 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 10.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.15 -58.23 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.67 14.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.773 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.44 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . 0.2 OUTLIER 47.95 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 10.0 110.963 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -40.44 145.52 0.5 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -170.44 -44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 10.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.8 pttt 175.53 116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 11.7 pt-20 -67.67 -47.56 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 10.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 37.3 p-80 45.35 77.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 10.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.5 -94.06 1.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 10.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.0 -49.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 0.79 . . . . 10.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.01 34.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.03 163.07 1.63 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 10.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -88.16 3.89 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.26 -147.52 19.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 29.6 p-80 -173.03 128.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.626 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 74.6 m-70 68.48 -67.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.572 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 121' ' ' HIS . . . 178.7 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 124' ' ' ASP . . . 173.4 -35.97 0.13 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 10.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.3 m-20 61.47 137.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER -93.68 158.53 36.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 10.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.604 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.5 Cg_endo -74.95 157.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 10.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -80.73 58.55 3.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD13 ' HE1' ' A' ' 85' ' ' PHE . 29.4 mt -119.85 78.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 10.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 2.1 pt-20 -113.97 78.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.8 t 40.01 -148.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 10.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.753 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 62.83 31.33 79.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.123 . . . . 10.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 93.88 -21.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.35 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 63.3 m-20 -50.49 -25.55 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.473 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -74.44 -28.36 63.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 10.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 132' ' ' ALA . 16.5 mmtt -82.18 58.08 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 1.3 t -114.83 164.02 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 10.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.913 ' HB2' HD11 ' A' ' 139' ' ' ILE . 2.9 p30 -141.99 138.25 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 1.008 ' O ' HD13 ' A' ' 139' ' ' ILE . 26.5 m -77.63 99.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -144.78 123.15 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 7.3 mtt -155.0 22.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.495 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 5.4 t-20 60.3 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.63 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -83.75 157.89 63.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 -41.61 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 143' ' ' PRO . 5.8 m-20 168.89 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 146' ' ' SER . 26.7 p -117.39 60.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.762 ' HB3' HD22 ' A' ' 68' ' ' LEU . 43.6 t 177.26 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -126.5 65.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 10.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 147' ' ' LEU . 1.4 tttm -47.27 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.455 ' HE3' ' CA ' ' A' ' 150' ' ' GLY . 0.0 OUTLIER -112.31 -43.39 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.455 ' CA ' ' HE3' ' A' ' 149' ' ' LYS . . . -66.79 -32.92 82.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 10.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.33 -159.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 10.0 109.995 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 153' ' ' LEU . 11.2 mttt -78.24 -173.87 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 146' ' ' SER . 0.7 OUTLIER -39.86 -62.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 22.0 t-20 67.84 24.07 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.62 HG21 ' HA ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -114.38 -11.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.532 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -127.02 -168.03 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 10.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -155.42 168.95 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 10.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' ASP . 3.7 mt-10 36.48 -116.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -84.57 57.86 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 42.01 -101.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 10.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.983 ' O ' HD23 ' A' ' 190' ' ' LEU . 2.3 p 153.91 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 10.0 110.01 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.819 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.36 175.82 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 86' ' ' HIS . 3.2 m-85 -107.22 176.75 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.823 HG23 ' CB ' ' A' ' 186' ' ' CYS . 3.2 mp -136.63 130.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -85.74 101.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.893 ' HA ' HD11 ' A' ' 184' ' ' ILE . 2.9 p-80 -154.32 176.08 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 18.0 mt-10 84.35 -28.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 7.9 mm-40 -133.3 167.13 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 10.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 180' ' ' SER . . . -177.51 -167.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 0.1 OUTLIER 162.56 98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.419 ' OD2' HD23 ' A' ' 173' ' ' LEU . 0.1 OUTLIER 178.55 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 10.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 178' ' ' GLY . 0.3 OUTLIER 51.4 84.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 10.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 174' ' ' THR . 3.5 pp -149.14 -47.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 10.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.73 ' HB ' HD12 ' A' ' 173' ' ' LEU . 1.9 t -107.04 177.13 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 110.365 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.93 161.14 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.75 20.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.792 . . . . 10.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -48.51 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 10.0 110.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 179' ' ' ASN . . . 116.3 64.4 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 10.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.7 t-20 39.23 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 10.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.632 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.5 p 155.66 67.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 10.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 175.36 38.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 10.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 49.36 175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 10.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.536 ' NH2' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER 66.42 61.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -114.01 -89.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -150.03 148.43 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.823 ' CB ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -136.17 168.45 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 108.241 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 45' ' ' VAL . . . -102.42 -74.69 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.819 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 69.98 148.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 10.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.5 mt 62.69 98.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 161' ' ' SER . 3.3 pp -87.85 -171.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 190' ' ' LEU . . . -51.38 157.37 2.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 10.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -165.79 109.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 10.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.97 161.75 30.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 10.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.98 142.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.3 t -41.33 -87.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.92 -63.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p 45.94 81.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.92 178.62 6.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.4 -96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -56.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 44' ' ' HIS . . . 147.99 -143.12 10.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 10.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLY . 3.4 m-70 36.65 77.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 10.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 42' ' ' GLY . 1.8 p-80 -148.7 158.04 43.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 10.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.895 HG11 ' HA2' ' A' ' 187' ' ' GLY . 74.1 t -109.33 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.22 117.03 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 58' ' ' ILE . 5.8 mt -84.44 98.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.8 t -86.25 145.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.546 ' OD1' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -84.76 13.65 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.958 ' HB2' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER 66.69 -60.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 10.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mm-40 -80.36 -82.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -43.02 -69.63 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 10.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.91 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 ttmt 157.93 -43.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 10.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 162.53 147.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 77' ' ' LEU . 12.4 m -115.48 -18.16 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -148.45 -140.59 3.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 10.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 170.01 173.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.075 HG23 HG22 ' A' ' 72' ' ' ILE . 16.8 mm -93.89 141.22 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.92 117.92 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.916 ' HB ' HG22 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -99.12 120.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -160.07 62.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 10.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -38.68 157.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 10.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.63 -158.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 10.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.23 59.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.52 -81.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 10.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -134.61 152.68 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.86 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 10.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 68' ' ' LEU . 3.6 mp -82.97 88.67 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.693 ' C ' HD11 ' A' ' 147' ' ' LEU . 2.4 t70 -120.16 -170.22 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 10.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.946 HG23 HD13 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -82.89 171.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' OD2' ' A' ' 137' ' ' ASP . 7.9 t-80 -109.92 65.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.075 HG22 HG23 ' A' ' 58' ' ' ILE . 6.4 pt -87.15 124.48 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -155.02 71.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -40.54 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.1 t-20 -84.81 -163.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.793 ' HA ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -110.91 96.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 110.061 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.776 ' HA ' HG11 ' A' ' 55' ' ' VAL . 6.9 mp -45.74 -79.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.603 ' HG3' ' CE2' ' A' ' 172' ' ' TYR . 0.0 OUTLIER 160.25 -55.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 41.21 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 10.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 27.51 43.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' N ' ' A' ' 169' ' ' ALA . . . -74.4 175.56 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 10.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.494 ' C ' HD13 ' A' ' 83' ' ' LEU . 33.1 m -102.2 127.64 49.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.916 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -115.83 61.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.365 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 98.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.416 1.072 . . . . 10.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.781 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.1 p90 -146.67 112.72 5.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.686 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 0.1 OUTLIER 160.03 98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.619 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 156' ' ' LEU . 0.7 OUTLIER 68.8 164.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 10.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -85.97 168.02 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 10.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.1 tt0 -133.27 -54.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -154.18 59.03 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.21 166.69 3.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 10.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.962 ' HB2' ' HB3' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -91.44 156.78 17.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 10.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 31.9 p -47.58 105.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 94' ' ' VAL . 37.2 t -134.0 81.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 60.32 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.78 . . . . 10.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -141.73 140.93 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 10.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 52.95 91.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 10.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.03 114.82 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 10.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.1 p -98.95 167.14 10.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 10.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.07 57.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 10.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.79 144.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 10.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.72 146.13 31.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 80.78 2.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 10.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.62 111.95 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER 174.67 147.76 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 10.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 62.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.42 94.28 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.03 -54.12 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CA ' ' O ' ' A' ' 119' ' ' GLY . 4.2 mp0 -103.22 97.26 7.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.403 ' CB ' ' OD1' ' A' ' 106' ' ' ASN . 51.9 t60 -105.58 98.89 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 10.0 109.589 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.21 151.49 6.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 10.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.06 -65.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ASN . 2.5 t-20 -169.52 41.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.41 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -47.56 173.11 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 10.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.96 -21.88 15.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 10.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.434 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -106.07 -24.01 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 10.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' O ' ' CA ' ' A' ' 111' ' ' GLU . . . 97.94 -11.88 64.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 10.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.434 ' CD2' ' HB3' ' A' ' 118' ' ' MET . 8.6 p80 -130.46 125.92 35.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 10.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -74.44 -74.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.567 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -178.66 -48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.69 38.66 2.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.9 p30 -175.0 74.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -114.1 97.12 44.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.08 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 10.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -95.49 74.02 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.55 59.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 10.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -97.07 59.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 10.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 76' ' ' SER . 1.9 t 38.33 -142.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 10.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.509 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.79 -55.62 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 10.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -83.49 -63.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 10.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 158.62 40.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 37.4 29.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 10.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -83.68 70.33 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 10.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -122.54 93.03 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 10.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.579 ' OD2' ' CD2' ' A' ' 71' ' ' HIS . 9.3 p30 -113.44 112.29 23.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 138' ' ' VAL . 6.5 m -86.55 117.25 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.437 HD13 ' C ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -146.67 20.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 10.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 8.4 ptp -150.4 -169.68 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 45.02 29.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.541 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -121.75 152.9 59.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -175.09 75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.541 HG23 ' HB1' ' A' ' 142' ' ' ALA . 2.3 p -91.92 64.67 4.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 p -91.57 112.92 25.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 10.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.946 HD13 HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -95.78 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.49 -98.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -158.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 10.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -80.49 78.36 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 10.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.53 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 10.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -43.36 13.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.3 pp -77.69 55.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.29 8.51 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.433 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -103.09 -16.73 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.776 ' H ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -121.24 -163.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 4.7 t70 -103.2 126.25 50.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.5 OUTLIER -35.43 -56.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.91 48.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -173.03 106.41 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 10.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -129.75 7.75 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 187' ' ' GLY . . . -143.06 174.55 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 10.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.686 ' CE2' ' O ' ' A' ' 86' ' ' HIS . 3.0 m-85 -97.77 178.41 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.567 HG23 ' ND1' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -91.82 132.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -104.03 69.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.67 ' CD2' ' O ' ' A' ' 185' ' ' VAL . 10.3 m170 -131.3 178.07 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 10.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER 78.46 -24.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 10.0 110.343 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.767 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 4.1 mt-30 -139.52 177.07 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 10.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 91.98 134.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -139.51 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.412 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -74.89 -68.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.603 ' CE2' ' HG3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -179.23 -43.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 10.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 173' ' ' LEU . 0.3 OUTLIER -90.23 -37.07 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 173' ' ' LEU . 6.6 t 42.34 27.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -74.02 -51.29 4.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.03 87.93 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.1 OUTLIER 80.0 -68.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 10.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 106.19 133.27 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 10.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 170' ' ' ASP . 3.0 t-20 -71.38 -143.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.0 p 77.96 47.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.5 46.33 1.19 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 10.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 57.51 163.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 10.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.23 77.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 110.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 1.064 HG22 HG12 ' A' ' 185' ' ' VAL . 3.3 mp -124.25 -105.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 10.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 1.064 HG12 HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -110.76 146.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 134.16 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.895 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -132.72 111.27 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 10.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 92' ' ' SER . . . -170.97 60.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 10.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 31.6 mt -148.39 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 161' ' ' SER . 0.0 OUTLIER -128.27 83.28 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -168.08 -79.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 128.65 35.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.3 m120 167.39 79.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 10.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -169.45 -60.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 10.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt 54.2 75.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.285 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 35' ' ' VAL . 10.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.54 128.05 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 10.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -108.0 154.15 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.0 p -126.37 175.29 7.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 13.9 p -51.97 172.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HB1' ' NE2' ' A' ' 43' ' ' HIS . . . 175.54 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 10.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 61' ' ' LYS . 2.0 m-85 -68.9 77.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 52.81 106.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 10.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 20.0 p80 -175.52 168.6 3.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 10.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.17 68.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 10.0 109.548 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 47' ' ' LEU . 35.8 t -139.64 89.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 10.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.527 ' C ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -103.17 120.74 41.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 10.0 110.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.876 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -112.95 96.25 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 53' ' ' LYS . 26.7 t -123.86 115.35 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.685 HD22 HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -103.81 176.6 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 179' ' ' ASN . 11.1 mtt180 -91.2 53.78 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CG ' ' OD1' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -138.48 -91.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.62 -74.52 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 10.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 48' ' ' VAL . 8.7 tptt -177.47 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 10.0 109.321 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -170.36 148.81 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 78' ' ' ARG . 27.5 m -106.13 17.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.777 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 153.89 -146.88 15.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.11 . . . . 10.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.2 OUTLIER 157.27 176.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 10.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.643 HG23 ' CD1' ' A' ' 72' ' ' ILE . 19.2 mm -115.84 116.39 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -151.35 58.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 10.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.959 HG21 ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -87.28 177.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -122.99 58.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.824 ' HB3' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -38.09 109.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 10.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -53.61 -97.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 174.8 62.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 -83.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 68' ' ' LEU . 12.9 mt-10 -129.14 -159.97 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -49.91 88.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.142 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 66' ' ' GLU . 1.2 mm? -116.56 107.18 14.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.959 ' HB3' HG21 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -156.12 84.45 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 10.0 109.238 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.009 ' O ' HD12 ' A' ' 70' ' ' ILE . 1.6 pp -97.5 59.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.655 ' C ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER 178.23 52.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 10.0 109.589 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 72' ' ' ILE . 40.0 mm -102.56 59.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -80.02 69.4 6.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 10.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.38 84.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 15.1 m120 -153.55 -42.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 10.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.624 ' CB ' HD23 ' A' ' 83' ' ' LEU . 60.8 p 173.16 80.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 10.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.835 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -88.54 -28.47 20.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 10.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.762 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.83 152.07 7.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 10.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.02 135.07 18.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 10.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.01 70.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 171' ' ' ASP . . . -144.17 166.17 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 1.047 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.0 m -110.47 127.54 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.047 HD13 ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -140.22 97.16 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.39 148.21 26.12 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 10.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.498 ' C ' ' CG ' ' A' ' 86' ' ' HIS . 7.3 t80 -162.47 123.26 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 10.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CG ' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 165.17 117.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 10.0 109.628 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mm -50.72 101.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.98 174.07 15.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 10.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.93 -176.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -111.68 92.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 57.58 116.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 10.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.626 ' OG ' HG22 ' A' ' 164' ' ' ILE . 1.7 t -89.06 122.98 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.633 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 71.5 m 66.24 155.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 10.0 108.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' CYS . 55.7 t 61.49 122.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.254 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 60.73 108.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.46 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER 65.24 173.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -169.29 89.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.42 -63.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 t -173.7 78.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 10.0 109.935 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 87.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.5 -150.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 10.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.85 -119.07 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.59 5.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 10.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -90.15 63.96 5.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 10.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.02 145.27 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.6 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 10.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 54.29 100.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 10.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -42.98 -56.83 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.76 170.06 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.2 m170 71.92 52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 123.78 -172.56 16.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 10.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 1.3 t80 71.95 -66.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 10.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 0.3 OUTLIER 160.27 121.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.07 156.73 2.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.25 15.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -122.78 17.7 10.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.11 -143.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.7 -164.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -105.86 174.39 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 10.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -45.15 -58.08 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.84 -45.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 10.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.52 148.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.62 HD11 ' OE1' ' A' ' 129' ' ' GLU . 2.1 pp -89.57 156.84 47.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.559 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 169.58 22.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 10.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -74.73 63.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.43 HD13 ' ND2' ' A' ' 75' ' ' ASN . 40.6 mt -138.72 68.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.716 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.6 OUTLIER -157.45 74.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.813 HG13 ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -179.48 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 11.88 -120.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -97.55 17.24 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 10.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.813 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -59.07 -16.42 18.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -99.07 0.29 57.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 10.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 132' ' ' ALA . 2.2 mttt -84.56 89.45 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.497 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -115.45 124.09 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 138' ' ' VAL . 9.1 p-10 -121.05 68.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 137' ' ' ASP . 27.0 m -157.82 167.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -149.17 169.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -155.97 112.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 140' ' ' MET . 13.7 t-20 53.79 103.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.969 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -155.91 133.03 6.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 10.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.99 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 10.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 147' ' ' LEU . 4.1 m-20 -174.68 72.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.969 HG23 ' HB1' ' A' ' 142' ' ' ALA . 41.9 p -57.06 85.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 10.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' ASP . 0.3 OUTLIER 60.82 12.76 3.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 10.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' A' ' 62' ' ' GLU . 9.1 mt -77.01 -41.56 42.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.483 ' HE3' ' CA ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER 65.88 144.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.483 ' CA ' ' HE3' ' A' ' 148' ' ' LYS . 0.4 OUTLIER -151.26 -94.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -103.48 -33.45 4.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.05 16.9 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 153' ' ' LEU . 7.1 mtmm 73.04 -171.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 1.062 HD12 HD21 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -35.35 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 7.6 t-20 83.07 29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.749 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -97.57 -15.27 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -83.85 -169.0 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.55 43.44 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.32 4.86 4.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.74 -34.15 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 69.05 142.73 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 10.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.53 137.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 10.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.474 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -125.65 170.1 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 10.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 1.161 ' CE2' HD11 ' A' ' 165' ' ' ILE . 1.7 p90 -87.56 125.77 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 10.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.819 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -108.22 134.25 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.161 HD11 ' CE2' ' A' ' 163' ' ' PHE . 2.1 mp -111.54 176.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 10.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.695 ' H ' HG22 ' A' ' 165' ' ' ILE . 2.8 t-80 94.79 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 180' ' ' SER . 1.4 tt0 60.41 4.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 166' ' ' HIS . 50.1 mm-40 -92.92 175.56 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . -110.86 150.53 29.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.8 t0 83.86 115.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.463 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -173.82 -173.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.434 ' C ' HD22 ' A' ' 173' ' ' LEU . 2.5 t80 -43.6 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 174' ' ' THR . 1.1 mm? -101.63 -28.25 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 10.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 174' ' ' THR . 7.8 t 34.02 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 1.2 m-20 -173.36 175.4 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.96 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.485 1.781 . . . . 10.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.4 t -142.91 21.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -58.38 -115.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 10.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.456 ' CB ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 m-80 -113.32 57.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLU . 87.5 p -119.8 81.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.513 ' H ' ' CE1' ' A' ' 166' ' ' HIS . . . -98.04 -86.54 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -179.29 111.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 10.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER 32.33 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 182' ' ' ALA . 1.0 OUTLIER -116.85 -59.9 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.4 p -90.49 107.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.413 ' SG ' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -150.91 140.85 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 10.0 108.258 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -85.21 -39.27 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 10.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 67.36 119.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.8 OUTLIER -155.46 59.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.3 pp -99.77 170.02 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 10.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -51.55 105.2 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -119.03 116.12 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 10.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 179.2 143.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.96 145.5 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 10.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -66.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.266 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -100.81 125.37 54.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.73 145.19 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -164.29 153.8 13.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 10.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -109.05 -63.3 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.79 122.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -47.19 -55.63 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 10.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.63 -128.92 1.03 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 10.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' C ' ' CG ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -56.2 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 10.0 109.596 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 171.41 159.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 10.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 188' ' ' ALA . 14.2 m -83.73 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -55.28 140.22 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 10.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.11 71.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 10.0 109.274 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 53' ' ' LYS . 1.4 t -81.49 127.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 10.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.696 HD21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.08 153.19 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.54 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HG3' ' CA ' ' A' ' 178' ' ' GLY . 2.8 mm-40 -110.18 -53.41 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 10.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.594 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -35.27 -40.62 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.912 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 87.71 -29.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.632 ' O ' HD21 ' A' ' 77' ' ' LEU . . . 169.11 146.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.76 HG12 ' HG ' ' A' ' 77' ' ' LEU . 20.6 m -112.85 9.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 10.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.777 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 140.98 -119.27 1.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 10.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.43 157.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 10.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.683 HG23 ' HB ' ' A' ' 72' ' ' ILE . 13.8 mm -109.25 92.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 79.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.867 HG22 HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -84.78 141.82 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -117.03 59.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 10.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.2 mm-40 -2.7 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 p -83.22 175.88 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.54 75.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.54 -80.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.1 tt0 -155.5 160.16 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.963 ' O ' HD23 ' A' ' 68' ' ' LEU . . . 39.85 -97.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 10.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -149.19 159.8 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.86 ' HA ' HG23 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -157.71 28.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 10.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -87.62 177.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -122.16 73.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -94.41 112.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.722 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -157.47 164.9 36.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 110.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.777 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . 86.2 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 25.2 m-20 -128.83 -22.66 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 83' ' ' LEU . 4.8 t -109.34 123.76 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.76 ' HG ' HG12 ' A' ' 55' ' ' VAL . 3.7 mt -53.47 -48.68 68.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.3 mtp180 156.53 -46.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.02 125.28 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 10.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . -24.91 93.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 10.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' O ' ' CA ' ' A' ' 129' ' ' GLU . . . -113.79 169.17 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.763 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 1.6 m -118.81 96.12 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 10.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.682 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -105.77 100.62 10.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 10.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.31 53.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 10.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 p90 -135.96 126.65 27.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 10.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 165.73 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 87' ' ' ILE . 5.9 mm -39.55 155.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.67 171.55 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -108.63 -63.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -137.58 147.42 45.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 60.2 127.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 10.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 189' ' ' LEU . 1.7 m -102.27 46.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 10.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.6 m 65.07 63.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 108.346 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.5 t -127.97 128.5 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 66.85 89.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.41 2.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 10.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 -64.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -161.42 73.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.0 74.36 3.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 10.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -100.36 76.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 109.932 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.54 -68.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.44 96.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 10.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.35 115.67 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 105' ' ' PHE . 18.2 Cg_endo -75.0 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 104' ' ' PRO . 2.7 t80 79.54 -9.85 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 105' ' ' PHE . 3.6 m-20 155.62 145.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 10.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.7 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 10.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -155.4 -70.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 10.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HA ' ' ND2' ' A' ' 106' ' ' ASN . 18.8 pttt -140.47 -132.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 2.5 mm-40 46.33 -172.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 113' ' ' GLY . 69.3 t60 -89.67 168.95 11.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 10.0 109.586 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 112' ' ' HIS . . . -35.3 -71.23 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 10.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.478 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 2.0 t80 -67.53 -67.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 114' ' ' PHE . 0.6 OUTLIER 158.95 45.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -60.63 176.12 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 10.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.02 157.56 42.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.78 . . . . 10.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' PRO . 1.3 mtt 36.03 32.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . 52.57 175.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 10.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -79.81 -73.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 10.0 109.609 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.568 ' N ' ' CG ' ' A' ' 120' ' ' HIS . 5.5 t-80 -178.27 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 10.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -172.48 -97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 10.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . -142.82 24.67 2.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 10.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 78.47 175.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 10.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.55 108.59 48.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.367 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 124' ' ' ASP . 18.1 Cg_endo -75.05 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 10.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.4 ' O ' HD12 ' A' ' 128' ' ' LEU . 6.1 m-20 -85.15 169.93 13.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 68.74 63.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.581 ' C ' HG12 ' A' ' 130' ' ' VAL . 2.6 pt-20 -148.79 58.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 10.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.581 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -176.8 165.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.726 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . -56.58 -148.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 10.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 87.35 -11.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER 77.42 38.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.76 93.42 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.57 59.44 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 10.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -118.99 159.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 136' ' ' VAL . 0.6 OUTLIER 172.03 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 10.0 109.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.577 ' O ' HD13 ' A' ' 139' ' ' ILE . 0.8 OUTLIER -136.18 113.24 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.2 mm -113.86 -110.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 10.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.569 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -82.74 -149.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 140' ' ' MET . 55.4 t30 66.35 29.29 9.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.501 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -131.96 139.34 34.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 10.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.433 ' HA ' ' CE ' ' A' ' 148' ' ' LYS . 2.4 t70 176.11 74.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 10.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.869 ' OG1' HD21 ' A' ' 68' ' ' LEU . 43.7 p -112.93 55.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.79 ' HB2' HD23 ' A' ' 153' ' ' LEU . 5.2 p 86.99 -159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.858 HD12 HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER 25.2 54.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.812 ' HZ3' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -120.78 -137.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -71.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -50.36 -92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -45.08 42.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 10.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.581 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER 65.16 98.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.21 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -109.85 22.68 15.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 10.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.643 HD13 ' C ' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -113.51 -33.12 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 10.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -86.13 -159.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.79 149.12 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.7 OUTLIER -32.54 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 10.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -86.9 -50.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 190' ' ' LEU . . . 130.87 -87.15 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.1 p 87.01 170.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 10.0 109.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HG11 ' A' ' 45' ' ' VAL . . . -141.5 179.54 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -82.23 167.08 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.545 HG22 ' HB2' ' A' ' 186' ' ' CYS . 3.1 pt -121.65 145.73 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 185' ' ' VAL . 4.8 mp -98.58 98.42 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 182' ' ' ALA . 18.8 p-80 -116.29 175.45 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 43.86 26.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.562 ' NE2' ' CD1' ' A' ' 184' ' ' ILE . 0.1 OUTLIER -83.96 176.0 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -110.77 168.94 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -77.13 -152.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -108.69 75.92 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 10.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 52.95 47.47 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 10.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.969 HD21 ' HG2' ' A' ' 176' ' ' PRO . 3.4 tp -148.04 -74.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER 43.02 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 10.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.588 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 1.1 m-20 176.29 -56.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.969 ' HG2' HD21 ' A' ' 173' ' ' LEU . 18.2 Cg_endo -75.04 53.29 3.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 10.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 176' ' ' PRO . 1.7 p 38.31 33.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' CA ' ' HG3' ' A' ' 51' ' ' GLU . . . -76.9 -36.24 36.95 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.472 1.108 . . . . 10.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -172.12 119.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 72.4 p -174.36 36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -168.58 118.16 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 166' ' ' HIS . . . -38.98 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER 82.91 60.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.271 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG12 HG12 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -131.51 -40.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.686 HG22 HD13 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -139.13 125.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.545 ' HB2' HG22 ' A' ' 164' ' ' ILE . 19.7 p -147.98 152.17 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 162' ' ' ALA . . . -129.72 154.43 20.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 10.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.762 ' O ' HG12 ' A' ' 45' ' ' VAL . . . -179.89 176.54 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 10.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 92' ' ' SER . 0.1 OUTLIER 64.52 81.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -38.59 151.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -99.74 75.31 0.47 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 10.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 171.84 119.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 10.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 47.24 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.2 48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.03 149.61 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 10.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLU . 14.0 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 t 66.56 -73.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 26.5 mt-10 -87.55 168.32 13.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 10.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.4 p -107.04 -167.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -58.69 172.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.95 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -127.6 149.38 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.28 158.25 33.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 10.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.521 ' O ' HG21 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -43.55 152.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 10.0 109.553 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.84 130.59 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.569 ' CG1' ' HB1' ' A' ' 162' ' ' ALA . 2.7 t -137.69 60.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 10.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.84 140.23 57.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.32 111.1 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 185' ' ' VAL . 1.9 t -124.94 100.73 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.566 HD22 HG22 ' A' ' 165' ' ' ILE . 12.0 m120 -83.02 139.02 33.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.564 ' HB2' HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -72.61 52.67 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 167' ' ' GLU . 10.5 mt-10 -134.4 -71.9 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 10.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.59 -83.77 1.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 10.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.3 tttp -175.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 10.0 109.296 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -146.69 166.85 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG22 HD23 ' A' ' 47' ' ' LEU . 6.3 m -155.1 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 74' ' ' ALA . . . 142.65 -155.72 25.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' C ' HD13 ' A' ' 58' ' ' ILE . 2.3 p90 175.86 175.62 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 43' ' ' HIS . 8.1 mm -103.25 116.81 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 72' ' ' ILE . 49.8 mt-10 -156.09 58.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 72' ' ' ILE . 10.2 pt -84.45 154.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.74 76.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 10.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.609 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -19.47 119.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.162 . . . . 10.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.545 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -102.67 179.72 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 10.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.44 71.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 10.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.97 -73.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -154.58 143.72 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 39.32 -152.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.639 HD13 ' CB ' ' A' ' 145' ' ' THR . 0.9 OUTLIER -87.51 115.86 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 10.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.545 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -115.17 36.24 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 10.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.1 pp -82.39 -179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CE1' ' OD2' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -130.1 85.81 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -135.4 123.72 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -133.75 115.41 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 85' ' ' PHE . . . -66.25 82.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.759 ' HA ' HD11 ' A' ' 77' ' ' LEU . 21.7 p-10 -113.33 -154.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 64.12 55.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD11 ' HA ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -128.48 -153.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 164.13 -52.64 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 10.0 110.254 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.0 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 10.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 15.82 62.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 10.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.614 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -90.62 157.94 17.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 10.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.73 ' C ' HD13 ' A' ' 83' ' ' LEU . 7.9 m -84.46 114.84 22.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -104.0 83.19 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -32.69 -75.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 48.21 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 10.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.77 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.55 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.613 HD11 HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -51.25 132.55 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 10.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -155.42 148.15 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 10.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' TYR . 7.4 pt-20 -30.67 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 164' ' ' ILE . 13.5 mttt -100.49 118.37 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 162' ' ' ALA . . . -147.22 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -80.48 82.74 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 10.0 109.957 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -42.61 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 108.292 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 94' ' ' VAL . 81.2 t 48.41 73.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 63.01 82.83 0.21 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 10.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 10.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.19 121.01 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 55.16 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.03 138.94 58.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 10.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.79 91.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 10.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.55 -70.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.43 -97.61 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 10.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.47 -146.53 18.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 10.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -42.84 163.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.504 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER 163.57 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -75.0 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.422 1.748 . . . . 10.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 67.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 107' ' ' PRO . 11.6 t30 -130.18 -63.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -88.34 -69.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 10.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.51 120.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.64 119.12 37.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 10.0 109.602 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 120' ' ' HIS . . . -158.19 -145.82 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.115 . . . . 10.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -102.89 14.99 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 10.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 116' ' ' ASN . 63.5 t-20 -165.34 -69.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 157.7 -53.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -74.98 -75.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 10.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.3 mmm -89.23 25.86 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 10.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.68 151.65 20.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 10.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.409 ' N ' ' HA3' ' A' ' 113' ' ' GLY . 1.2 p-80 -160.95 112.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 10.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.22 -75.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.616 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -163.21 -48.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 113.39 33.81 1.87 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 10.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -75.55 128.36 35.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -84.43 -58.78 0.36 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.07 173.65 14.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 10.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -107.53 76.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.023 HD22 HG21 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -139.94 61.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 10.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.3 mm-40 -84.25 58.47 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 10.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 35.39 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.419 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.55 -38.14 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 10.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -108.35 11.95 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 10.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 73.53 28.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 10.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 74' ' ' ALA . . . 54.28 50.39 56.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.79 85.64 7.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 10.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 1.023 HG21 HD22 ' A' ' 128' ' ' LEU . 4.9 m -144.95 94.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.865 ' O ' HG22 ' A' ' 138' ' ' VAL . 25.6 p-10 -116.32 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 137' ' ' ASP . 6.3 m 54.04 159.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.528 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.6 147.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -125.12 144.6 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 140' ' ' MET . 7.9 t30 78.83 91.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.434 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -132.44 153.96 81.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 10.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -179.53 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.686 HG22 HD13 ' A' ' 155' ' ' ILE . 17.3 p -84.89 79.25 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.9 104.13 16.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 10.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -83.14 45.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -148.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -120.07 -48.41 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -37.52 -53.36 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 10.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -109.28 -31.66 7.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 10.0 109.988 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.61 ' HG3' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER 53.29 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.892 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.37 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.792 ' C ' HD13 ' A' ' 156' ' ' LEU . 2.3 t30 -77.1 0.79 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 145' ' ' THR . 4.8 pt -85.62 59.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -119.55 55.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -151.35 76.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.4 tt0 86.51 -36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 10.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -83.96 -41.66 17.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 10.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -60.19 -145.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 10.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.481 ' C ' ' HG ' ' A' ' 189' ' ' LEU . 3.6 m 79.57 163.86 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 10.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.637 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -82.75 176.72 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 87' ' ' ILE . 22.4 m-85 -87.04 146.88 25.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 13.6 mt -93.86 126.99 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 49' ' ' ASN . 0.1 OUTLIER -133.07 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.613 ' CE1' ' HG3' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -167.73 149.4 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 10.0 109.582 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 1.028 ' CG ' ' HB3' ' A' ' 182' ' ' ALA . 2.6 pt-20 -68.93 56.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.613 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 2.6 mm-40 -84.59 179.49 7.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 81' ' ' ALA . . . 68.03 127.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.53 136.79 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 173' ' ' LEU . 7.6 m-20 -137.21 150.86 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 10.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 55.19 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.458 ' C ' HG22 ' A' ' 174' ' ' THR . 0.4 OUTLIER -142.09 -50.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 10.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 173' ' ' LEU . 2.4 t 42.7 36.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 10.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.8 OUTLIER -50.84 -52.89 53.03 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.45 76.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 10.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 179' ' ' ASN . . . -105.45 -34.54 3.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 10.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -163.67 119.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.5 p -179.43 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 10.0 110.069 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -169.08 111.25 0.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 10.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 1.028 ' HB3' ' CG ' ' A' ' 167' ' ' GLU . . . -170.18 114.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.0 OUTLIER -86.99 80.52 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.248 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 50' ' ' ARG . 2.8 pp -130.06 0.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.83 102.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -155.07 137.76 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 108.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -93.93 -142.12 11.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -165.52 104.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 10.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -137.28 99.8 4.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 10.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.692 ' CD1' HD13 ' A' ' 153' ' ' LEU . 0.4 OUTLIER 36.66 88.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -86.8 -175.52 49.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 10.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.86 161.91 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 0.787 . . . . 10.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.8 t30 67.43 146.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 10.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.26 170.05 9.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.05 151.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 10.0 110.266 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG22 ' H ' ' A' ' 37' ' ' GLU . 9.4 p -167.13 169.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -93.59 176.07 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.0 p -139.6 -173.61 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 10.0 110.448 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -105.29 170.84 7.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 10.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.548 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . -176.98 117.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 10.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 23.8 m-85 -148.71 104.06 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 164.98 -124.71 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CD2' ' HB3' ' A' ' 190' ' ' LEU . 30.3 m170 -52.83 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 10.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 74.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.595 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 ' C ' ' A' ' 187' ' ' GLY . 2.2 t -135.34 87.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.17 97.58 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 10.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.46 84.53 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 53' ' ' LYS . 2.4 t -126.32 110.37 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.71 ' ND2' HG11 ' A' ' 55' ' ' VAL . 2.1 m-80 -81.8 162.18 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.44 33.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.37 -85.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.91 -75.73 0.74 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.2 tptt -176.21 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . -149.5 169.15 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' ND2' ' A' ' 49' ' ' ASN . 25.1 m -146.0 10.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 47' ' ' LEU . . . 133.35 171.02 12.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -165.58 175.5 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -120.67 133.26 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 71.5 mt-10 -155.62 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.801 ' CG1' HD21 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -88.5 155.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 10.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.7 54.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 10.0 109.297 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.575 ' H ' HD22 ' A' ' 147' ' ' LEU . 14.3 mt-10 -145.13 -120.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 10.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.529 ' C ' HD22 ' A' ' 68' ' ' LEU . 13.2 t 63.43 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER 76.33 -56.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 10.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.0 -45.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 63' ' ' SER . 7.5 pt-20 -124.96 -156.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.923 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -86.63 103.87 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 10.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD22 ' C ' ' A' ' 63' ' ' SER . 1.7 mp -94.0 -113.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -140.79 90.53 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.585 HD12 ' CD1' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -84.51 173.5 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.71 89.11 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.6 pp -138.39 72.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.88 81.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 10.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . . . -60.23 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -82.54 128.54 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 4.5 m -113.94 53.79 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -35.8 -37.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -44.77 127.65 5.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.3 Cg_endo -75.04 133.25 16.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.77 64.69 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.42 1.075 . . . . 10.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 78' ' ' ARG . . . -117.05 176.23 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 10.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.83 ' H ' ' HB2' ' A' ' 169' ' ' ALA . 3.7 m -127.71 116.83 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 1.5 mm? -110.38 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -39.26 160.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 10.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.661 ' CD2' ' CE2' ' A' ' 163' ' ' PHE . 43.7 t80 -169.73 104.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 10.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ILE . 3.0 t-160 -176.2 111.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.2 tp -40.01 147.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 173.61 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 10.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' HB2' ' HZ1' ' A' ' 90' ' ' LYS . 34.9 mm-40 -101.73 50.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HZ1' ' HB2' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -139.45 158.07 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 10.0 109.234 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.2 -127.45 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 10.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.863 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 8.5 t -84.62 64.19 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 10.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 40.28 81.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 10.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.8 161.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 10.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 60.99 150.8 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 16.3 p-10 177.22 128.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER 178.32 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.008 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.7 168.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.81 110.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.94 -69.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.56 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 10.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.62 158.47 15.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 10.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.51 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.89 107.7 0.66 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 10.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 10.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.01 70.02 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 10.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.75 68.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 111' ' ' GLU . 5.9 mtmt 50.87 56.04 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' CG ' ' C ' ' A' ' 110' ' ' LYS . 3.1 pt-20 39.3 89.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -158.33 140.69 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 10.0 109.641 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.71 -24.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 10.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.73 -46.6 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 116' ' ' ASN . 0.4 OUTLIER -162.48 -43.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER 166.11 -52.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 116' ' ' ASN . 18.5 Cg_endo -74.98 124.12 8.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 33.95 37.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 10.0 110.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . -57.96 176.07 1.93 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 10.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 121' ' ' HIS . 3.2 t-80 66.86 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.613 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m-70 171.8 -177.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 10.0 109.563 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.9 -1.91 33.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 10.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.32 18.48 58.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -166.4 155.83 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 10.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.418 ' N ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -151.42 64.32 5.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.04 156.79 42.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 10.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -76.19 58.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.4 mt -151.16 59.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 130' ' ' VAL . 4.6 pt-20 -155.51 62.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -171.07 163.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.503 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.27 42.36 3.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 10.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.604 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -73.42 -59.35 2.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.604 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 6.0 p-10 147.72 -11.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 75' ' ' ASN . . . 80.58 66.46 1.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.475 ' CG ' ' OD1' ' A' ' 133' ' ' ASP . 0.3 OUTLIER -85.95 58.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 10.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.8 t -130.99 90.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.725 ' C ' HG23 ' A' ' 138' ' ' VAL . 8.3 p-10 -158.74 176.35 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER 61.15 138.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.585 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -108.44 166.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 10.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 17.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.0 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.923 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -85.93 124.47 70.66 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 10.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -168.93 65.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 10.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.3 p -71.1 88.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.544 ' O ' ' C ' ' A' ' 147' ' ' LEU . 59.9 p 60.28 -144.11 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.801 HD21 ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER 28.15 47.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 10.0 109.356 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.452 ' HE3' ' CB ' ' A' ' 151' ' ' SER . 11.5 mmmt -91.56 176.63 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 10.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -37.49 3.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 10.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -116.89 -61.69 0.32 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 10.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.452 ' CB ' ' HE3' ' A' ' 148' ' ' LYS . 3.1 t -47.22 -32.11 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.693 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.1 ttpt 56.09 98.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.94 HD13 ' CD2' ' A' ' 190' ' ' LEU . 0.2 OUTLIER 9.45 72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 152' ' ' LYS . 34.3 t30 -97.96 50.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 10.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 195' ' ' LYS . 1.5 pp -106.15 -6.26 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.687 HD12 ' H ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -127.67 -76.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.687 ' H ' HD12 ' A' ' 156' ' ' LEU . 4.0 m-20 -146.36 160.71 41.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 10.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -22.32 64.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -45.66 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 147.31 176.55 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.9 p 160.55 149.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 10.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.478 ' HB1' ' HA3' ' A' ' 191' ' ' GLY . . . -155.79 175.38 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.661 ' CE2' ' CD2' ' A' ' 85' ' ' PHE . 15.7 p90 -105.59 166.69 10.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 10.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -116.68 134.36 60.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -102.57 112.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -175.33 174.33 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.553 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.449 ' CA ' ' HA ' ' A' ' 180' ' ' SER . 2.8 mt-10 60.52 12.07 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 10.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -128.32 162.11 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 10.0 110.313 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 76.58 -177.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 178.06 127.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 19.1 p-10 -98.6 37.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER 69.19 29.18 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.968 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.797 HD22 ' HG3' ' A' ' 176' ' ' PRO . 3.3 mt -129.53 -72.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.459 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.7 OUTLIER 42.31 91.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 10.0 110.412 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.505 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.3 m-20 163.05 -52.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 10.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.797 ' HG3' HD22 ' A' ' 173' ' ' LEU . 18.2 Cg_endo -75.0 -67.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 10.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 50.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -66.26 -88.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.99 -45.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 10.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.449 ' HA ' ' CA ' ' A' ' 167' ' ' GLU . 46.1 p -89.78 37.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -126.47 90.13 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 10.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 66.38 174.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 10.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.5 OUTLIER -55.22 122.42 11.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 10.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 182' ' ' ALA . 0.8 OUTLIER -119.03 -55.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 184' ' ' ILE . 3.1 p -134.8 149.71 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 16.6 t -155.89 134.12 11.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.753 ' C ' HG22 ' A' ' 45' ' ' VAL . . . -72.94 -76.0 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.863 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 67.71 137.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 10.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 190' ' ' LEU . 8.6 mt 69.4 100.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.94 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.2 OUTLIER 39.31 94.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.587 ' CA ' HG21 ' A' ' 45' ' ' VAL . . . -125.77 27.78 5.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.31 158.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 10.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -168.19 -87.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -165.37 167.7 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -124.34 93.51 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 10.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.274 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 37' ' ' GLU . 8.4 p -79.45 169.52 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER 75.21 134.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -167.22 114.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -118.0 -49.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 10.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 63.07 110.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.46 -40.05 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.38 75.69 0.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 53.07 -173.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 10.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -168.88 122.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.4 p -96.82 60.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 45' ' ' VAL . 15.8 pt20 -27.5 133.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.59 102.26 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 53' ' ' LYS . 3.4 t -111.67 135.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -113.66 167.87 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -91.28 26.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.566 ' HB3' HH21 ' A' ' 78' ' ' ARG . 4.3 mm-40 -118.96 -80.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 10.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 -79.93 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 10.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 48' ' ' VAL . 5.6 tptm -176.41 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -159.54 172.12 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.797 ' HB ' HD21 ' A' ' 83' ' ' LEU . 1.8 m -128.16 3.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.776 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 138.32 -117.62 1.47 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 167.55 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 10.0 110.965 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.561 HD13 ' C ' ' A' ' 57' ' ' PHE . 3.0 mm -107.86 97.9 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -156.13 79.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 110.255 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.915 HD13 HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -85.17 161.02 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -93.61 -174.16 3.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 3.3 mt-10 -88.78 115.18 26.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 10.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 87.4 p -83.07 -47.59 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 110.055 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 76.56 34.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -52.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.84 -164.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.26 -92.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.999 HD13 HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -88.83 -167.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 10.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 15.4 t0 -136.44 -146.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.068 ' CD1' HG13 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -101.72 111.46 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 10.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 1.7 m170 158.54 55.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.585 ' CG1' HG23 ' A' ' 60' ' ' ILE . 1.4 pp -153.93 68.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 m -86.69 58.71 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -117.18 91.34 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 1.051 ' O ' HD22 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -116.6 -48.47 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.928 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 10.6 p 159.34 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 110.045 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -46.35 -24.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 10.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.679 HH21 ' HB3' ' A' ' 171' ' ' ASP . 12.8 mtp-105 -79.79 163.32 58.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.0 142.62 28.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 10.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.04 75.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 76' ' ' SER . . . -114.36 176.24 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.523 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 4.3 m -149.68 97.96 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.051 HD22 ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -94.39 113.31 25.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.24 104.21 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -124.25 164.12 20.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 10.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 172.88 71.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 10.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mm 64.8 148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.357 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -152.13 175.51 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.53 71.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 10.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.85 144.96 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 10.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.624 ' OG ' HG13 ' A' ' 94' ' ' VAL . 1.1 p -84.67 133.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.1 65.97 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 188' ' ' ALA . 3.4 m -117.67 -8.93 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 169.39 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 10.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.1 Cg_endo -74.99 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 69.39 -62.22 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.7 OUTLIER 45.78 52.75 9.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 10.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -42.39 136.39 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 10.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 -50.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 10.0 109.939 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.63 -72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.37 147.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.501 1.126 . . . . 10.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 104' ' ' PRO . . . 123.77 136.37 4.71 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 103' ' ' GLY . 18.3 Cg_endo -74.94 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 10.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 56.81 105.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -80.48 141.55 52.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 10.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -75.02 61.56 5.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 10.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.1 mp 38.13 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -99.85 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -103.42 -89.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -124.19 175.75 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.49 155.43 19.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . 149.77 155.08 6.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.101 . . . . 10.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 115' ' ' ASN . 45.5 p90 -55.1 -43.69 74.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 10.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.585 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 52.2 t-20 -177.86 47.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.59 168.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -32.66 38.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.19 168.49 12.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 10.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 113' ' ' GLY . 5.0 p-80 -153.03 137.68 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 10.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.709 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 7.1 m80 -98.25 -64.1 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 10.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . 85.89 -46.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.72 -30.96 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 10.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -161.29 151.21 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 10.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 69.66 15.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.496 ' HB2' HD11 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 169.8 21.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 10.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.52 72.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 10.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.53 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.2 OUTLIER -160.0 64.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 10.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -149.26 69.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.4 OUTLIER -173.1 166.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.79 34.18 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 10.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -58.16 -41.11 83.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.736 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 5.3 m-20 150.3 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.444 ' HA2' ' ND2' ' A' ' 75' ' ' ASN . . . 86.76 44.9 5.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.15 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -111.83 106.59 15.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 10.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.516 ' CG1' ' HB2' ' A' ' 75' ' ' ASN . 3.7 m -151.66 76.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.737 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.4 OUTLIER -95.64 176.31 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 10.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 1.068 HG13 ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 65.25 160.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.999 HG21 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -136.03 153.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.62 109.86 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.9 t30 51.44 96.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 10.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.58 161.04 55.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 145' ' ' THR . 18.1 Cg_endo -75.03 -67.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 10.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -166.07 41.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.894 ' O ' HD23 ' A' ' 147' ' ' LEU . 25.1 p -92.07 69.61 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 148' ' ' LYS . 0.9 OUTLIER -74.69 79.79 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -88.97 44.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 10.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -163.21 29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 10.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -85.41 -99.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 10.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.35 -25.88 3.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 10.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -123.62 174.82 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 10.0 109.983 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 151' ' ' SER . 8.9 mmtt -38.07 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 154' ' ' ASN . 0.1 OUTLIER -94.57 -106.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 14.8 t-20 167.17 -30.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.7 pt -91.33 50.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.7 pp -86.16 101.06 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 173.85 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -38.06 -59.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 -52.04 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.22 -121.7 1.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 10.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 190' ' ' LEU . 12.8 t 172.9 157.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.615 ' HB1' ' N ' ' A' ' 188' ' ' ALA . . . -155.82 154.82 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 10.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.24 106.26 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -84.4 123.62 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.747 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.0 mp -108.47 155.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -174.75 174.72 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.38 3.51 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.643 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -84.35 173.51 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 10.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.87 -164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.679 ' HB3' HH21 ' A' ' 78' ' ' ARG . 5.0 p-10 -137.54 -177.73 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -89.49 32.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.464 ' C ' HG22 ' A' ' 174' ' ' THR . 62.8 mt -128.67 -80.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 10.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.464 HG22 ' C ' ' A' ' 173' ' ' LEU . 1.2 t 42.38 77.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.509 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.8 OUTLIER 164.83 -53.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 10.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 -37.17 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 10.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.72 -63.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 59.9 119.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -109.75 -146.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 10.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 168' ' ' GLN . 48.2 t 178.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.963 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 176.02 -130.82 1.76 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 10.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 56.34 165.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.44 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 10.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 181' ' ' GLY . 1.0 OUTLIER -107.42 -63.8 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.747 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.5 p -96.51 126.47 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.79 137.68 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 10.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.62 ' CA ' HG22 ' A' ' 45' ' ' VAL . . . -52.09 -55.29 22.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 10.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 94' ' ' VAL . . . 67.71 106.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 10.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.9 mt 59.88 120.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 190' ' ' LEU . 3.8 pp -75.01 57.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 85.29 105.49 0.67 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -83.98 157.13 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -174.98 -65.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -162.3 -64.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? 64.2 162.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 110.275 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 37' ' ' GLU . 2.0 p -112.33 -178.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 10.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.643 ' H ' HG22 ' A' ' 36' ' ' VAL . 13.0 mt-10 66.21 171.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 10.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 39.62 88.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.429 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -170.81 123.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -107.29 -55.13 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' A' ' 59' ' ' GLU . 2.1 p90 -33.64 -40.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 110.71 -129.23 9.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 10.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . 21.7 m80 -51.58 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 169.51 166.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 10.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG12 ' CD2' ' A' ' 47' ' ' LEU . 3.6 t -88.53 93.62 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -67.21 74.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.626 ' CD2' HG12 ' A' ' 45' ' ' VAL . 7.2 mt -85.39 95.34 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 10.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.008 HG13 ' HB2' ' A' ' 54' ' ' ALA . 23.5 t -116.04 125.75 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.832 ' OD1' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -85.06 115.8 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 4.8 tpt180 37.36 -105.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 10.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 7.1 mt-10 -143.13 6.07 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 10.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -44.95 -48.64 9.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.167 . . . . 10.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 170.87 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 10.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.008 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . 74.64 116.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -126.87 22.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 10.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' HB1' ' A' ' 74' ' ' ALA . . . -118.5 108.69 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -165.47 158.44 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' H ' ' A' ' 45' ' ' VAL . 3.9 mt -124.02 95.73 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.4 mt-10 -119.52 74.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 HG23 ' A' ' 72' ' ' ILE . 1.8 pp -122.98 170.95 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 10.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.777 ' H ' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -144.4 87.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -33.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -86.4 -95.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.71 -32.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 11.9 p-10 -84.14 -136.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -83.95 144.76 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.299 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 147' ' ' LEU . . . 35.82 -151.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 10.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.85 HD22 ' CG1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -154.85 -168.11 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.741 . . . . 10.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.932 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.1 m-20 -139.89 24.32 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 10.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.85 ' CG1' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.38 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 137' ' ' ASP . 0.4 OUTLIER -118.44 78.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.576 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.919 HG23 HG21 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -81.99 99.39 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -156.06 169.2 25.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.524 ' HB1' ' HA2' ' A' ' 56' ' ' GLY . . . -165.57 55.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 76' ' ' SER . 9.2 m-80 -158.68 170.14 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 10.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.8 p 93.05 58.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 10.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.853 HD12 HD11 ' A' ' 83' ' ' LEU . 1.6 mt -60.16 -71.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.0 ttm180 158.14 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -75.01 47.66 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 10.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.45 86.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 170' ' ' ASP . . . -127.33 175.09 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 10.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.764 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.4 m -95.45 137.23 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.59 86.71 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.688 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -61.14 139.33 47.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 10.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.69 120.68 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 10.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.3 130.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 10.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.551 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.0 OUTLIER -109.96 79.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -149.0 91.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 10.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE2' ' HB3' ' A' ' 162' ' ' ALA . 1.7 pp20? -176.04 175.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 10.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -136.45 111.22 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 10.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.97 111.44 1.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 10.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . 15.2 p -85.53 156.07 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 10.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.28 131.74 47.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.69 -19.38 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 170.75 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.03 -88.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 10.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 2.5 t70 77.64 97.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 10.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -130.52 -47.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 10.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.74 -40.43 95.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.36 -61.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 10.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 41.42 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.33 -115.73 2.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.69 -149.38 43.22 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -176.98 3.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 10.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -133.77 78.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 179.52 143.63 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 10.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.8 59.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -111.37 -63.03 1.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -170.25 45.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.61 110.47 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 11.6 t-80 179.48 61.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.47 -171.49 19.83 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 10.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.27 -59.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 10.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ASN . 47.4 t-20 178.35 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 115' ' ' ASN . 5.4 m-20 -42.63 163.56 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 10.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.62 14.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 10.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 mmt -92.35 -43.41 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 10.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.87 166.38 25.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 121' ' ' HIS . 1.6 p80 -145.57 -75.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 10.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 120' ' ' HIS . 8.8 m-70 -136.44 -173.84 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 10.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.52 -54.28 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 10.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.86 -35.19 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 10.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -168.27 133.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 10.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.31 87.35 7.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 10.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.505 ' O ' HD23 ' A' ' 128' ' ' LEU . 55.1 m-20 -73.02 59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 127' ' ' ASN . 5.2 mt -144.07 69.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.772 ' C ' HG12 ' A' ' 130' ' ' VAL . 6.2 pt-20 -150.86 59.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.772 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 168.91 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 10.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -58.19 151.36 31.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 69.66 -55.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.581 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.4 m-20 -53.29 -21.08 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -102.66 -5.35 48.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 10.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -82.73 80.3 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 10.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.401 ' C ' ' CG ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -106.46 172.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 165.42 112.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.622 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.6 m -83.61 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.932 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.9 mm -115.31 -116.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.56 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -82.16 179.64 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 60.25 22.63 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.27 145.93 46.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 10.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 10.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 168.36 69.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.583 ' N ' HD22 ' A' ' 147' ' ' LEU . 1.6 p -88.65 69.86 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 10.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.65 ' HB2' HD23 ' A' ' 153' ' ' LEU . 1.5 p 91.88 -9.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.846 HD11 ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.22 17.11 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -37.59 133.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.303 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.422 ' N ' ' HE2' ' A' ' 148' ' ' LYS . 0.1 OUTLIER -44.26 -92.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -73.46 -61.79 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 148' ' ' LYS . 0.5 OUTLIER -70.94 -176.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 10.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.73 144.7 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 10.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 33.36 84.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.365 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -89.57 19.2 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 10.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -105.78 -22.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.66 HD22 ' OG ' ' A' ' 161' ' ' SER . 4.1 pp -107.16 -156.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 159' ' ' ASP . 93.0 m-20 -85.97 69.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 65.93 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.8 m-20 -152.13 27.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -125.41 124.1 5.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.66 ' OG ' HD22 ' A' ' 156' ' ' LEU . 35.8 p -171.84 136.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 10.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.584 ' HB3' ' OE2' ' A' ' 89' ' ' GLU . . . -155.71 120.07 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 10.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.551 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 3.8 m-85 -87.48 148.03 25.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.77 100.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.688 HG23 ' N ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -92.34 137.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 10.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.42 ' HB2' ' N ' ' A' ' 183' ' ' ARG . 0.1 OUTLIER -177.32 175.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 109.609 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.11 4.36 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 175.37 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 172' ' ' TYR . . . -151.48 142.97 23.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -154.88 -56.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.43 ' HB3' ' ND2' ' A' ' 179' ' ' ASN . 8.2 t70 -93.3 92.06 7.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.404 ' CE1' ' HB1' ' A' ' 169' ' ' ALA . 41.9 m-85 -83.63 59.63 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 174' ' ' THR . 4.4 mt -128.52 -41.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.913 HG21 ' HA ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER -35.09 153.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.494 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -51.48 -52.71 57.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.03 42.98 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 10.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 176' ' ' PRO . 0.2 OUTLIER 31.43 42.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 10.0 110.026 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 176' ' ' PRO . . . 163.69 112.2 0.27 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.913 ' HA ' HG21 ' A' ' 174' ' ' THR . 3.5 p30 -72.74 -5.81 40.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 10.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.464 ' CA ' HD12 ' A' ' 184' ' ' ILE . 1.7 m -117.0 77.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -92.39 64.03 2.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.128 . . . . 10.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 58.54 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.42 ' N ' ' HB2' ' A' ' 166' ' ' HIS . 35.9 mtm180 41.01 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.464 HD12 ' CA ' ' A' ' 180' ' ' SER . 0.0 OUTLIER -136.89 -49.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 49' ' ' ASN . 4.0 t -101.72 118.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 6.1 t -155.95 133.95 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 10.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.516 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -104.02 -146.02 15.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 92' ' ' SER . . . -171.49 104.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 10.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.5 mt 69.83 139.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 10.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.74 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -116.82 75.79 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.56 1.162 . . . . 10.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -166.95 177.06 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 10.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -100.66 169.74 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 10.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.2 170.48 14.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 127.76 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 10.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 110.289 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 38' ' ' THR . 35.6 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -43.27 148.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' OE2' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 62.58 93.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' VAL . 38.4 p -129.32 -164.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.402 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.7 p -117.22 176.51 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 10.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.84 -73.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 10.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.61 158.33 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.31 107.7 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 10.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 1.1 p80 -161.66 147.06 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 10.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -130.98 59.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 187' ' ' GLY . 59.2 t -134.8 65.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.61 131.55 34.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.78 89.6 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -109.37 114.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.652 ' CG ' HD11 ' A' ' 77' ' ' LEU . 7.0 m-80 -82.01 146.83 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 10.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 4.73 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -107.99 -70.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 10.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -92.33 13.43 67.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 10.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 4.1 tttt 69.62 -60.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.769 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -177.46 139.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.874 HG11 ' HA ' ' A' ' 77' ' ' LEU . 31.1 m -118.08 -9.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.44 -144.17 3.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 169.84 175.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 10.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.86 ' CD1' HD11 ' A' ' 47' ' ' LEU . 19.1 mm -112.95 107.99 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 43' ' ' HIS . 3.5 mt-10 -109.04 97.15 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.0 HG23 HG21 ' A' ' 70' ' ' ILE . 16.6 mt -97.43 142.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -142.23 79.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -33.68 126.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 10.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 69.9 p -106.14 -176.6 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 10.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.77 71.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -155.8 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 10.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -125.51 -174.95 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 10.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -39.31 -86.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 10.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.6 OUTLIER -110.45 149.69 29.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t70 -155.3 34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.0 HG21 HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -94.27 177.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.4 59.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 10.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 70' ' ' ILE . 1.6 pp -93.41 129.93 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -155.2 67.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.975 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.886 ' HB1' HD11 ' A' ' 128' ' ' LEU . . . -36.44 133.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 10.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 55' ' ' VAL . 3.0 m120 -78.87 162.19 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.486 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 16.5 m -110.09 110.31 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.874 ' HA ' HG11 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -34.07 -61.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.62 -55.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 10.0 110.331 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 115.3 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.78 73.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 10.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -37.92 133.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.429 0.723 . . . . 10.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 66.4 m -156.0 65.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -126.71 102.0 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 168.05 34.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 10.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.28 176.44 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 10.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.614 ' O ' ' CE2' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -99.79 169.62 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.561 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -68.05 135.88 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 10.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -116.66 160.85 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 10.0 110.97 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -142.08 -177.74 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.01 57.84 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 10.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -92.26 22.38 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 10.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 64.8 59.69 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 108.29 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG23 ' H ' ' A' ' 95' ' ' ARG . 5.3 m -146.22 -59.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' H ' HG23 ' A' ' 94' ' ' VAL . 22.6 mmt180 -139.46 78.53 26.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 10.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.99 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 10.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 169.24 104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 177.91 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -62.69 135.27 57.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 10.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER 159.84 70.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.25 56.02 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.43 -164.74 10.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.69 -173.98 36.62 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 10.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.63 171.87 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -95.79 157.26 36.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 10.0 109.25 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.99 166.01 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 10.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.422 HD22 ' SD ' ' A' ' 118' ' ' MET . 0.2 OUTLIER -40.23 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 10.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.28 86.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt 41.9 50.27 4.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -125.95 130.09 50.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 120' ' ' HIS . 38.5 p-80 -175.9 143.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -173.36 53.73 0.16 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 10.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.64 -63.51 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 10.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 113' ' ' GLY . 2.1 p-10 -148.02 31.98 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.411 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -47.36 173.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.98 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.422 ' SD ' HD22 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -74.84 -55.11 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 10.0 111.021 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.69 122.64 4.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 10.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 121' ' ' HIS . 6.0 p80 -46.68 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 10.0 109.574 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -153.03 -169.37 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.55 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -118.53 -82.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 67.06 -46.8 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 122' ' ' ALA . 1.2 t0 79.6 100.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' A' ' 168' ' ' GLN . 0.8 OUTLIER -124.49 77.12 62.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.72 26.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 10.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 128' ' ' LEU . 26.1 m-20 60.35 170.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 10.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 83' ' ' LEU . 19.1 mt 43.52 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.742 ' C ' HG13 ' A' ' 130' ' ' VAL . 18.7 pt-20 -135.72 123.84 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.742 HG13 ' C ' ' A' ' 129' ' ' GLU . 0.7 OUTLIER 68.42 161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 76' ' ' SER . . . -77.01 59.75 3.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 10.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.25 32.47 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 10.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.463 ' N ' ' HB2' ' A' ' 76' ' ' SER . 0.1 OUTLIER 62.12 16.01 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 53.08 65.05 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -86.82 78.24 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 10.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 128' ' ' LEU . 7.6 m -122.54 163.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 27.1 p-10 172.01 145.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 138' ' ' VAL . 7.2 m -134.59 96.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 10.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.684 HG21 ' O ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.78 39.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 128.95 11.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 68.09 106.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.464 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -155.35 118.16 2.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 10.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -171.56 60.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.672 ' OG1' HD22 ' A' ' 68' ' ' LEU . 26.1 p -88.02 74.35 8.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 10.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.75 69.0 6.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.4 pp -81.45 48.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 10.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.586 ' C ' HD21 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -113.6 157.71 21.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 151' ' ' SER . . . -60.61 77.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LYS . 2.8 t 178.28 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' LEU . 22.0 mmtt -81.75 -54.98 4.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 1.024 HD13 ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 10.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 9.1 t-20 64.69 9.25 5.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.748 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -112.66 -20.95 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 1.024 ' CD1' HD13 ' A' ' 153' ' ' LEU . 5.7 mt -84.94 -140.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -120.67 86.17 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 10.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 157' ' ' ASP . 26.9 p-10 -90.81 -42.02 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 161' ' ' SER . . . 128.38 -106.03 0.75 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 161' ' ' SER . . . . . 1.004 ' HB3' ' HB1' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 55.06 109.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 10.0 109.991 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 87' ' ' ILE . . . -158.69 55.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.533 ' N ' ' OH ' ' A' ' 88' ' ' TYR . 14.2 m-85 -159.2 58.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 10.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.548 ' HB ' ' CE1' ' A' ' 166' ' ' HIS . 13.1 pt -106.78 114.72 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.928 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.5 mp -97.33 133.21 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.552 ' CB ' ' O ' ' A' ' 165' ' ' ILE . 1.2 p-80 159.15 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.85 -21.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 125' ' ' LEU . 3.7 mt-30 -83.99 178.25 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -111.69 108.33 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 10.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.814 ' HB2' HD13 ' A' ' 77' ' ' LEU . 2.6 p30 -135.94 40.63 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 170' ' ' ASP . 4.2 m-20 -178.16 111.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.99 94.11 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.472 ' C ' HG22 ' A' ' 174' ' ' THR . 29.9 mt -153.52 -66.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.472 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER 42.74 80.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 10.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.567 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.2 OUTLIER 164.12 -55.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 10.0 109.251 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.95 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 10.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.89 67.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 179' ' ' ASN . . . -59.37 -119.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 10.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 184' ' ' ILE . 2.0 m120 175.02 81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.58 71.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 10.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.31 128.33 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 10.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.49 158.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.487 ' HA ' ' ND1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -63.63 116.76 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.301 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.741 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -120.43 -76.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.928 HG13 ' HB ' ' A' ' 165' ' ' ILE . 2.6 p -106.51 110.9 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.12 161.26 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 108.293 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -148.02 16.77 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 10.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 1.004 ' HB1' ' HB3' ' A' ' 161' ' ' SER . . . -49.42 178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 10.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 92' ' ' SER . 6.8 mt 69.4 59.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 10.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 156' ' ' LEU . 3.8 pp -38.83 156.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 43' ' ' HIS . . . -57.77 104.99 0.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 10.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 190' ' ' LEU . 6.5 p30 -130.66 164.95 23.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -147.94 80.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -39.02 110.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 10.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 70.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.748 HG22 HG23 ' A' ' 36' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG23 HG22 ' A' ' 35' ' ' VAL . 92.1 t 64.61 115.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -115.41 161.72 18.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 39' ' ' SER . 13.5 t -174.59 177.42 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 10.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' THR . 1.5 m -56.41 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 10.0 110.01 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 43.64 79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 10.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 11.6 m-85 63.24 51.28 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.87 -141.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 10.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -39.44 -48.92 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.18 156.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.65 ' HB ' ' CE2' ' A' ' 163' ' ' PHE . 3.0 m -96.1 114.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -89.12 134.35 34.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -113.75 98.84 7.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.793 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 t -130.08 108.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.937 ' ND2' HG21 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -83.07 163.46 20.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 10.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.16 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.89 ' OE2' HD22 ' A' ' 173' ' ' LEU . 2.1 mm-40 -108.86 -45.75 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 10.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.601 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -35.39 -31.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 10.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 76.86 -47.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 10.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . -176.81 150.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 4.2 m -116.56 8.05 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.675 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 117.67 -113.5 2.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 10.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.3 p90 169.89 157.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.93 73.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 10.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' HIS . 10.2 mt-10 -85.96 120.11 26.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 10.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.846 HG22 ' HB ' ' A' ' 70' ' ' ILE . 1.9 pp -125.69 172.47 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -157.55 57.43 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 10.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 61' ' ' LYS . 3.0 mt-10 26.26 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 10.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 62' ' ' GLU . 24.3 p 33.77 -147.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.01 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.55 -63.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -95.13 -170.63 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 1.007 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -37.06 -92.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 10.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.075 HD23 ' HB2' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -91.56 140.41 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.6 OUTLIER -157.44 40.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.846 ' HB ' HG22 ' A' ' 60' ' ' ILE . 1.3 pp -83.48 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 10.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 59' ' ' GLU . 2.9 t-160 -125.64 74.34 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 10.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 70' ' ' ILE . 2.0 pp -109.32 108.76 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -154.27 68.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 10.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -54.61 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 10.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 133' ' ' ASP . 1.2 m-20 -95.91 -6.33 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.83 ' HB2' HG22 ' A' ' 130' ' ' VAL . 27.0 p 42.5 57.16 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 83' ' ' LEU . 1.3 mt 39.49 -92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 164.86 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 10.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 75.3 3.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 10.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 16.5 63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 10.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -91.76 173.83 7.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 10.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.602 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -100.25 122.84 43.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 10.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.968 HD11 HD12 ' A' ' 77' ' ' LEU . 1.1 mm? -123.96 59.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.9 151.04 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.563 1.164 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 128' ' ' LEU . 13.6 t80 -168.91 137.66 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 10.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 167.19 119.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 162' ' ' ALA . 1.1 tp -39.2 129.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 190' ' ' LEU . 0.1 OUTLIER -107.63 176.07 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 10.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.33 -65.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 10.0 110.356 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -155.04 -171.93 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.359 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -37.2 126.28 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -113.69 -83.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 10.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.558 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -112.22 157.51 20.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 93' ' ' CYS . 41.9 t -156.62 -43.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 172.99 -53.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.96 -44.62 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 10.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.6 t0 65.25 144.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 10.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.77 -54.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.06 69.67 10.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 110.355 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -82.16 120.84 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 10.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.04 -70.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 55.88 93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 10.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.68 99.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 138.74 23.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 10.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.38 172.2 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -96.51 111.67 57.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 10.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.13 29.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 10.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.71 -71.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 10.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 111' ' ' GLU . 3.5 ptmt -167.68 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 110' ' ' LYS . 43.3 mt-10 37.37 60.15 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 10.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -171.24 136.83 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . 152.62 131.2 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 10.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 54.84 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 10.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 169.19 113.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.2 m-20 -140.31 175.94 2.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 10.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.02 -28.56 9.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 10.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.24 28.16 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.68 52.04 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 10.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 116' ' ' ASN . 4.4 p-80 -176.47 139.28 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 10.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 -172.47 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 10.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.19 -46.86 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 162.16 -34.62 0.35 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 10.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 162.77 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 114.01 54.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.44 16.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 10.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -116.12 58.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 85' ' ' PHE . 47.5 mt -146.75 61.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' VAL . 5.0 pt-20 -84.36 108.49 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 10.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 76' ' ' SER . 32.8 t -43.74 165.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 124.14 -18.63 7.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 10.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.0 3.38 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER 72.78 56.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 76' ' ' SER . . . 41.25 27.46 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 10.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 133' ' ' ASP . 15.4 mtpt -86.57 63.09 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -116.95 96.46 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.57 113.04 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.7 m -110.74 104.2 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -155.28 78.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtt -129.49 169.17 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -43.96 128.68 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 1.075 ' HB2' HD23 ' A' ' 68' ' ' LEU . . . -128.51 168.63 15.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -37.11 2.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 10.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.443 ' C ' ' OG1' ' A' ' 145' ' ' THR . 5.5 m-20 168.76 53.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.601 HG22 HG21 ' A' ' 155' ' ' ILE . 0.1 OUTLIER 45.31 97.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 10.0 110.43 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 146' ' ' SER . 0.9 OUTLIER 176.78 35.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 1.05 HD13 HD13 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -39.41 -72.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 87' ' ' ILE . 2.3 mmmt -40.73 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.44 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.41 3.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 10.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.563 ' CB ' HG21 ' A' ' 87' ' ' ILE . 4.4 t -82.91 -152.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 10.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 146' ' ' SER . 3.4 mtpt -147.0 17.91 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 10.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -138.44 -92.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.711 ' H ' HD12 ' A' ' 153' ' ' LEU . 9.9 t-20 70.26 2.31 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.05 HD13 HD13 ' A' ' 147' ' ' LEU . 0.9 OUTLIER -131.84 -56.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.554 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -103.38 70.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.663 ' OD1' HD11 ' A' ' 87' ' ' ILE . 4.2 m-20 -84.17 139.6 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -25.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 10.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -104.99 -61.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.78 ' HA2' HD11 ' A' ' 60' ' ' ILE . . . -178.59 -75.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 -178.65 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 10.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -147.69 97.95 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 10.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 1.028 ' CE2' HD12 ' A' ' 47' ' ' LEU . 5.2 p90 -112.45 175.99 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.004 HG23 ' CE1' ' A' ' 166' ' ' HIS . 1.2 mp -152.54 117.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.883 HD12 ' CD1' ' A' ' 163' ' ' PHE . 3.4 mp -125.38 78.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 10.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 1.004 ' CE1' HG23 ' A' ' 164' ' ' ILE . 4.1 m-70 -77.32 175.44 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 10.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 181' ' ' GLY . 11.7 pt-20 -63.91 66.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 4.5 mt-30 -83.64 177.65 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 168' ' ' GLN . . . -36.46 151.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 10.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.902 ' HB3' HG21 ' A' ' 174' ' ' THR . 0.2 OUTLIER 56.37 175.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 35.8 t70 178.56 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.6 OUTLIER 73.87 -60.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 10.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.89 HD22 ' OE2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -78.44 0.59 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.902 HG21 ' HB3' ' A' ' 170' ' ' ASP . 9.1 t -54.65 137.95 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 10.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.5 m-20 161.62 -51.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 10.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.32 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 120.25 83.93 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.443 1.089 . . . . 10.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.615 ' CB ' HD21 ' A' ' 173' ' ' LEU . 2.0 t30 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.6 m 87.59 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 10.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 56.19 86.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . -26.9 148.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 10.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.479 ' C ' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -55.91 127.88 32.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER -154.87 -32.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.937 HG21 ' ND2' ' A' ' 49' ' ' ASN . 72.3 t -81.24 82.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -155.79 116.18 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -96.05 -53.14 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 10.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 46.91 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.66 73.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -81.63 5.61 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 123.95 -115.87 2.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.464 1.102 . . . . 10.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 163.83 142.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.74 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -125.54 93.99 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -166.12 83.06 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 10.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -139.22 -61.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.9 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -105.69 172.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 10.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -51.34 173.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 10.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.9 t -81.71 177.27 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 10.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.417 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.5 t -50.07 178.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.76 -67.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -173.84 128.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 10.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.4 95.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 1.6 p-80 -159.59 149.12 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 10.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.67 68.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 ' HA3' ' A' ' 187' ' ' GLY . 56.0 t -142.0 121.93 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.66 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -106.46 121.9 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 10.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -121.61 100.05 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.806 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.0 p -121.92 119.5 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' ARG . 69.9 m-80 -83.81 146.11 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASN . 16.3 tpt180 -34.22 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.78 -46.0 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 10.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -38.89 -47.44 2.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 10.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 79.28 3.04 2.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 10.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 88.41 124.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 76' ' ' SER . 32.9 m -140.27 12.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.83 -160.64 10.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.111 . . . . 10.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.919 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER 174.32 166.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 10.0 111.03 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.998 HD12 HG23 ' A' ' 72' ' ' ILE . 4.8 mm -99.8 136.39 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' H ' HD13 ' A' ' 72' ' ' ILE . 28.3 mt-10 -152.08 74.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.999 HG23 HD11 ' A' ' 72' ' ' ILE . 1.6 pt -83.72 147.22 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.754 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -152.21 101.73 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 10.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -26.32 128.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 10.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 23.6 p -111.72 -173.89 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -151.9 74.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 10.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' GLY . 45.1 mt-10 -120.9 -172.08 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -30.98 -63.25 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 10.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -149.46 136.96 20.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 10.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -132.69 50.66 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 10.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.863 ' CD1' HD11 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -84.93 178.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -122.1 75.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.177 HG21 ' CE1' ' A' ' 163' ' ' PHE . 36.4 mm -98.09 81.69 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 92.49 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 10.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -106.94 74.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.608 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.2 m-80 -157.26 -159.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.637 ' O ' HG21 ' A' ' 55' ' ' VAL . 4.9 t 95.51 55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.695 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -97.3 -79.1 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 160.6 -56.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.767 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.3 Cg_endo -75.02 163.83 34.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.3 50.42 3.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 10.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.003 ' HB1' ' HB3' ' A' ' 168' ' ' GLN . . . -77.05 171.76 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 10.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.909 ' OG ' ' HB2' ' A' ' 169' ' ' ALA . 40.0 m -106.41 126.68 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 10.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.8 ' C ' HG23 ' A' ' 165' ' ' ILE . 0.5 OUTLIER -117.71 73.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -20.45 129.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 10.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.589 ' HB2' HD21 ' A' ' 128' ' ' LEU . 4.0 t80 -116.31 164.16 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 10.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 1.2 t-160 57.47 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 10.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.7 pt -59.27 -174.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 10.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -143.09 61.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 10.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 70.56 -58.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 179.43 7.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 161' ' ' SER . . . -121.93 -55.08 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 10.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.818 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 99.5 p -85.05 146.36 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 10.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.95 65.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 10.0 108.331 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -52.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -150.06 144.05 17.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 10.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 10.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.5 t0 175.49 -70.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -174.06 -64.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.83 119.9 28.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.32 -174.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.51 99.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 10.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 145.39 16.68 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 10.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.73 -122.97 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 10.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.77 33.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -160.88 171.72 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.77 107.12 0.68 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 10.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.758 . . . . 10.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 108' ' ' LEU . 3.1 mt -44.21 -90.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 10.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -154.96 -51.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -178.36 107.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.39 -55.66 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 10.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 44.5 p-80 42.95 77.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 10.0 109.614 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.9 -73.67 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 10.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 173.02 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 10.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.4 t30 175.48 53.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 10.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.12 168.34 0.36 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.59 14.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 10.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 38.4 mtt -82.51 -29.78 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 144.43 176.06 18.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.6 ' NE2' ' CE1' ' A' ' 121' ' ' HIS . 75.9 t60 -158.3 145.29 17.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 10.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.6 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 64.67 175.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.644 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.66 -64.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.01 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.39 132.45 50.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.05 133.47 35.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 165.61 30.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.792 . . . . 10.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -122.91 59.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -170.82 59.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.9 pt-20 -90.82 57.32 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 79' ' ' PRO . 1.6 t 37.53 -146.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.552 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 72.54 -60.67 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.551 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -53.92 -43.38 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 10.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 152.05 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 94.17 42.72 3.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 10.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -123.5 81.46 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 10.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 128' ' ' LEU . 1.5 t -113.66 87.8 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 10.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.825 ' O ' HG22 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -118.97 178.73 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 137' ' ' ASP . 5.7 m 53.43 167.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 10.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.905 HD13 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -130.81 127.06 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 1.8 mmt -86.59 107.16 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' MET . 34.5 t30 79.29 137.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.24 132.53 14.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -44.07 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -177.05 57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.436 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 45.1 p -115.92 60.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 149' ' ' LYS . 6.3 p -79.62 124.51 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 10.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -89.23 17.35 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.92 69.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 146' ' ' SER . 6.0 tttm -120.24 -68.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -94.16 -29.26 9.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 10.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.06 -76.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 10.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.8 -173.57 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER -41.92 -35.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 6.6 t-20 83.5 -5.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.4 pt -116.58 44.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.23 103.02 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -84.56 89.1 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 72.61 -62.02 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 10.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.402 ' HB3' HD21 ' A' ' 189' ' ' LEU . 1.4 m-20 -115.3 -45.17 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -179.66 -123.37 0.83 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 10.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.472 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . 13.1 p 171.43 152.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.969 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.41 176.15 12.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 10.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 1.177 ' CE1' HG21 ' A' ' 72' ' ' ILE . 24.6 m-85 -87.26 116.02 25.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 10.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 164' ' ' ILE . 3.4 mp -82.91 112.49 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.834 HG23 ' N ' ' A' ' 84' ' ' GLY . 2.2 mp -109.92 147.88 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.686 ' O ' ' C ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -119.56 112.78 19.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 10.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 166' ' ' HIS . 68.8 mt-10 5.59 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 1.003 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 pt20 -163.91 176.69 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.909 ' HB2' ' OG ' ' A' ' 82' ' ' SER . . . -73.21 -23.54 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.42 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -79.59 104.59 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 53.95 -85.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 10.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -158.93 62.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 10.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.557 HG21 ' H ' ' A' ' 179' ' ' ASN . 1.2 t -65.9 176.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.58 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER -67.09 -177.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.03 112.05 3.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 10.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.8 t 89.33 30.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -83.97 -125.51 1.2 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 10.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.557 ' H ' HG21 ' A' ' 174' ' ' THR . 0.1 OUTLIER -88.72 65.94 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 10.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 82.8 p -138.17 47.71 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 10.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 166' ' ' HIS . . . 119.82 12.68 6.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 10.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' HIS . . . -78.36 111.0 13.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 10.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.4 88.43 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.6 pp -123.19 -34.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 48' ' ' VAL . 2.6 p -84.69 56.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.75 129.21 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 108.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.852 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . -83.75 -54.32 3.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 10.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.818 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 60.63 145.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 10.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 159' ' ' ASP . 0.3 OUTLIER 68.92 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 10.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 53.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 49.28 -169.48 0.15 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 10.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -165.16 123.96 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 10.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -179.17 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 132.27 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 10.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.82 100.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 10.0 110.241 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.38 157.53 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 10.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -134.64 171.97 13.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 10.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -174.68 161.53 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 10.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.7 OUTLIER 75.19 -177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 110.061 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 72.25 82.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 10.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.48 99.22 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 10.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 140.45 175.26 14.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 10.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 153' ' ' LEU . 4.7 p80 -57.71 -157.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.645 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 1.8 t-160 162.77 113.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 10.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.758 HG11 ' HA ' ' A' ' 162' ' ' ALA . 0.7 OUTLIER -85.12 82.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -27.61 104.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -98.79 78.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 185' ' ' VAL . 0.6 OUTLIER -92.13 141.15 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.877 ' OD1' HG13 ' A' ' 55' ' ' VAL . 2.2 m-80 -112.41 172.19 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' CB ' ' ND2' ' A' ' 175' ' ' ASN . 22.6 tpt85 -65.19 -25.47 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 10.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 18.9 mt-10 -147.54 -43.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.914 ' O ' HD11 ' A' ' 77' ' ' LEU . . . -30.95 -37.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.1 OUTLIER 92.7 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 10.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 166.86 130.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.907 HG12 ' HB2' ' A' ' 76' ' ' SER . 16.8 m -89.2 26.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 109.82 -123.76 6.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 10.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.15 159.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 10.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.5 mp -99.41 100.35 10.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' ND1' ' A' ' 71' ' ' HIS . 29.7 mt-10 -138.46 69.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.776 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.13 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -143.55 118.23 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 10.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -30.6 136.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 10.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 37.1 m -98.74 -84.49 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER 157.96 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 10.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 5.7 t70 -84.72 -93.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 10.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 13.9 mt-10 -141.9 172.68 12.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . 35.76 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 10.0 111.041 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.752 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -83.62 85.33 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 10.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.875 ' O ' HD11 ' A' ' 139' ' ' ILE . 6.5 m-20 -159.96 52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 70' ' ' ILE . 41.6 mm -84.03 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 174.18 56.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.582 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 72' ' ' ILE . 41.9 mm -106.57 58.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -91.57 88.99 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -100.36 75.55 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -124.48 146.65 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.907 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.3 t -106.92 52.54 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.914 HD11 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 76.31 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 131' ' ' GLY . 14.7 ptt180 170.01 62.24 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 10.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.702 ' HG2' HD11 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.97 -5.99 17.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 10.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . 74.83 66.93 1.83 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.134 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 167.95 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 10.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.677 ' O ' HD13 ' A' ' 83' ' ' LEU . 16.3 m -81.23 150.38 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.885 ' C ' HG23 ' A' ' 165' ' ' ILE . 1.9 mm? -125.29 57.16 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.785 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 51.89 172.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 10.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 1.7 t80 170.82 140.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 10.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 81.01 168.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 10.0 109.625 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mm -99.02 156.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -153.45 175.0 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 10.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -67.29 72.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.69 ' CB ' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.17 153.31 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.292 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.09 -105.37 1.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 10.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -90.38 160.12 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 10.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.44 ' SG ' ' NZ ' ' A' ' 90' ' ' LYS . 1.7 m -101.43 80.61 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.5 p -159.32 44.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 10.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -132.55 99.97 15.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 10.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.34 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 10.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.65 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -168.95 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.02 75.59 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 m 53.06 173.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.03 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.26 53.01 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 10.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 63.5 148.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 10.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.93 119.22 4.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.58 175.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 59.71 156.43 0.1 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.267 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 10.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 44.13 83.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 10.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 41.01 78.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -62.08 165.61 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 10.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER 67.2 160.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.62 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.495 ' N ' ' H ' ' A' ' 120' ' ' HIS . . . -136.64 -61.69 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 10.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.11 -78.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 10.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -174.65 73.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.452 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.3 m-20 -148.43 175.5 2.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.05 -23.34 13.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 10.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' GLY . 3.0 mmt -116.02 -47.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 121' ' ' HIS . . . 37.27 -137.88 0.57 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.495 ' H ' ' N ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.0 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 10.0 109.654 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 119' ' ' GLY . 0.0 OUTLIER -159.13 -176.1 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 10.0 109.574 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.555 ' HB2' ' OE1' ' A' ' 167' ' ' GLU . . . -83.92 -51.52 7.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.94 -35.33 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 10.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -147.03 173.24 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.07 92.1 49.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 10.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.01 163.34 35.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -94.08 59.08 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -165.1 98.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 130' ' ' VAL . 5.0 pt-20 -148.47 56.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 10.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.887 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.6 OUTLIER -155.83 -162.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.887 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -49.73 -101.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 10.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.872 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . -93.13 42.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.733 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.741 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -70.6 -6.7 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . . . -96.46 7.28 66.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 10.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.872 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.4 OUTLIER -81.39 60.67 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 10.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.33 140.11 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 138' ' ' VAL . 1.3 p30 -149.53 64.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 1.034 ' O ' HD13 ' A' ' 139' ' ' ILE . 2.6 t -159.16 161.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 10.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 1.034 HD13 ' O ' ' A' ' 138' ' ' VAL . 2.5 mm -138.82 157.41 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.01 111.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.02 86.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -92.55 168.72 12.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.544 1.813 . . . . 10.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 t0 175.6 62.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.4 p -87.48 12.95 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.7 m -44.39 120.47 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -88.86 14.09 11.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 10.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 101.66 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.55 -105.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -111.71 -15.14 10.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -148.23 114.08 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 10.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 151' ' ' SER . 0.0 OUTLIER 35.45 -119.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.2 OUTLIER -62.47 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 5.8 t-20 158.1 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.421 ' CG1' HD22 ' A' ' 156' ' ' LEU . 3.1 pt -51.93 -21.42 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 153' ' ' LEU . 2.1 mm? -85.31 94.49 8.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -98.76 149.89 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 50.89 -97.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.7 ' HB3' HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -84.78 -30.95 24.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 10.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . 114.33 -117.75 4.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 10.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.497 ' N ' HD12 ' A' ' 156' ' ' LEU . 88.1 p -178.67 166.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 10.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.758 ' HA ' HG11 ' A' ' 45' ' ' VAL . . . -132.7 167.06 20.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 58' ' ' ILE . 7.0 m-85 -85.67 174.68 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.785 HG23 ' NE2' ' A' ' 166' ' ' HIS . 38.4 mm -127.93 100.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 10.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.885 HG23 ' C ' ' A' ' 83' ' ' LEU . 1.2 mp -117.01 103.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.785 ' NE2' HG23 ' A' ' 164' ' ' ILE . 25.0 p80 179.77 179.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 10.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.555 ' OE1' ' HB2' ' A' ' 122' ' ' ALA . 0.2 OUTLIER 76.8 -0.45 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 167' ' ' GLU . 10.5 mm-40 -142.78 171.45 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 65.73 114.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 10.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 171' ' ' ASP . 4.6 m-20 -134.75 83.11 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.46 ' HB3' HG22 ' A' ' 174' ' ' THR . 4.9 t70 -39.33 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -176.28 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.9 mt -147.67 42.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 171' ' ' ASP . 9.2 t -108.87 163.04 13.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.529 ' ND2' ' CB ' ' A' ' 50' ' ' ARG . 2.0 m-80 63.61 172.45 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.0 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 10.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.0 OUTLIER 85.51 39.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 181' ' ' GLY . . . 80.99 128.36 0.85 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 10.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.572 ' OD1' HG21 ' A' ' 184' ' ' ILE . 36.7 t-20 -39.76 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 10.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 178' ' ' GLY . 1.4 p -88.98 41.76 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -98.56 12.13 63.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 75.11 137.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 10.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.574 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.6 mtp-105 50.94 77.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -132.06 -79.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 10.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 184' ' ' ILE . 59.8 t -84.34 129.21 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.64 136.38 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -47.31 -51.49 15.24 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 10.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.598 ' H ' ' HB1' ' A' ' 162' ' ' ALA . . . 74.16 73.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.733 ' H ' ' HB2' ' A' ' 162' ' ' ALA . 5.3 mt 61.63 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 1.7 pp -49.41 178.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' HIS . . . -36.52 -70.42 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 10.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -153.99 -85.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 10.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -153.89 154.14 33.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 10.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 57.64 179.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.61 127.95 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HA2' ' A' ' 56' ' ' GLY . 17.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 36' ' ' VAL . 7.5 p -159.75 100.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.67 126.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 10.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' SER . 9.9 t -43.03 157.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER 81.38 114.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 10.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.72 80.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.13 99.73 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.39 179.28 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 10.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -174.33 85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 10.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.22 54.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 109.581 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 HG12 ' A' ' 58' ' ' ILE . 13.4 t -156.79 71.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.88 92.49 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 10.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 74' ' ' ALA . 12.9 mt -96.94 82.51 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.679 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 p -109.82 123.45 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 1.049 ' ND2' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.91 165.67 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -1.56 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.42 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 10.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -128.97 -42.77 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 10.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 8.7 tttt 175.42 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 10.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 53' ' ' LYS . . . -122.23 112.28 17.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 77' ' ' LEU . 18.6 m -83.75 -16.75 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . -168.68 -148.07 5.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 10.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER 162.5 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 10.0 111.036 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.863 HG12 HG11 ' A' ' 45' ' ' VAL . 27.9 mm -107.69 120.35 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -139.5 88.96 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 110.315 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.722 HD13 HD22 ' A' ' 156' ' ' LEU . 2.3 pp -85.2 144.03 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -145.29 63.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -4.52 108.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 41.2 t -35.69 -40.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 10.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.58 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -54.81 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -87.2 -159.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 10.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . -122.08 -4.82 9.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -147.15 105.38 3.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 10.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -159.74 27.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 139' ' ' ILE . 1.8 pp -106.98 176.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.418 ' CD2' ' HE2' ' A' ' 61' ' ' LYS . 23.5 m-70 -135.09 103.49 5.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 10.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.5 pp -120.22 59.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 10.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 1.3 p -126.61 132.63 51.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -123.8 54.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.79 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.85 153.65 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.7 t 145.07 56.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.839 HD11 HD11 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -90.04 -90.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 mtt180 156.32 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 10.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 29.66 83.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 10.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.588 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -121.17 167.26 12.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' SER . . . . . 1.037 ' O ' HD13 ' A' ' 83' ' ' LEU . 63.9 m -105.97 136.54 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -136.97 100.46 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.842 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -47.68 168.21 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 128' ' ' LEU . 2.6 t80 169.01 124.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 10.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 168.31 121.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 109.641 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 162' ' ' ALA . 3.4 mm -66.55 81.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -155.28 86.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.529 ' HB2' ' HB1' ' A' ' 162' ' ' ALA . 2.2 mt-10 -176.23 -173.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.87 126.63 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.14 143.12 0.57 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 10.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.9 p -94.79 176.03 6.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 10.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.03 155.27 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 10.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 95' ' ' ARG . 54.4 t -147.45 -48.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 tpt85 171.13 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 10.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.05 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 10.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.36 -70.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 10.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.9 t80 56.08 93.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.63 158.05 34.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.99 -47.69 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 10.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.02 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 10.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.39 133.44 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.62 109.42 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 10.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.536 ' CG ' ' HA3' ' A' ' 123' ' ' GLY . 1.6 p90 -51.62 174.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.7 OUTLIER 164.93 -52.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 10.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.2 Cg_endo -75.03 59.95 5.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 10.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.818 HD22 ' O ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -40.65 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 174.73 -72.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -172.2 -49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -86.46 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 10.0 110.278 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.818 ' O ' HD22 ' A' ' 108' ' ' LEU . 26.8 m170 -41.21 117.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.599 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.412 ' N ' ' HB3' ' A' ' 120' ' ' HIS . . . -175.75 -176.79 44.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 10.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.1 t80 -68.24 100.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 10.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 4.2 t-20 83.55 101.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -166.07 175.86 2.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 10.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -75.0 -47.76 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 10.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 95.06 174.32 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.412 ' HB3' ' N ' ' A' ' 113' ' ' GLY . 20.8 p-80 -120.64 124.44 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 10.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' HB2' HD22 ' A' ' 125' ' ' LEU . 10.9 m80 -96.38 90.46 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.617 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 63.5 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 10.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 105' ' ' PHE . . . -170.67 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.575 1.172 . . . . 10.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.6 132.73 5.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 10.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 121' ' ' HIS . 1.2 pt? -148.51 153.17 39.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.21 20.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 10.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 6.3 m-20 -120.34 171.31 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 85' ' ' PHE . 3.5 mt 81.33 100.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.7 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -155.24 74.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 10.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 133' ' ' ASP . 0.3 OUTLIER 168.82 107.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 10.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 29.88 -143.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 10.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.759 ' HB1' ' HG2' ' A' ' 135' ' ' LYS . . . -70.44 -6.22 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 10.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.773 ' HB3' HG13 ' A' ' 130' ' ' VAL . 0.5 OUTLIER -63.48 -9.21 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 10.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . -120.47 2.05 12.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 10.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.759 ' HG2' ' HB1' ' A' ' 132' ' ' ALA . 0.2 OUTLIER -81.04 79.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 10.0 109.366 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 136' ' ' VAL . 2.2 t -99.06 87.03 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 10.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -117.56 68.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 137' ' ' ASP . 29.3 m -158.29 143.21 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 70' ' ' ILE . 10.9 mm -113.83 160.25 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 10.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.829 ' HA ' HD22 ' A' ' 68' ' ' LEU . 22.6 mtt -155.35 127.42 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.3 OUTLIER 80.95 73.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 109.269 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 67' ' ' GLY . . . -154.9 149.12 19.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -38.64 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -172.51 64.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.862 HG21 HG23 ' A' ' 70' ' ' ILE . 1.5 p 39.82 53.86 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 10.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.657 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -125.9 -8.07 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 10.0 109.975 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.859 ' N ' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER 17.28 61.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -56.39 125.29 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -128.47 -74.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.09 -61.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 10.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 10.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 -85.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 10.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -115.53 -42.61 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.685 ' H ' HD12 ' A' ' 153' ' ' LEU . 21.2 t-20 71.23 6.5 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 10.0 109.268 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.738 ' CG2' HD23 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -114.15 -53.36 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.738 HD23 ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -129.89 65.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.514 ' CB ' HD11 ' A' ' 153' ' ' LEU . 1.6 t0 -112.21 144.71 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.849 ' O ' HD13 ' A' ' 189' ' ' LEU . 1.5 tt0 -39.1 -59.6 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.37 46.11 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 10.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -119.46 -8.28 9.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 10.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 190' ' ' LEU . 1.5 m -96.32 142.45 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.61 138.56 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 33.2 m-85 -155.81 84.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 10.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.556 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 8.6 mm -83.8 117.66 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 10.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.842 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.1 mp -127.66 111.81 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.556 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 16.8 p80 178.81 177.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.444 ' CA ' ' HA3' ' A' ' 181' ' ' GLY . 0.5 OUTLIER 76.99 -1.98 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 10.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 32.5 mt-30 -145.21 162.57 36.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 10.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.67 174.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.56 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.468 ' HB2' ' CD2' ' A' ' 173' ' ' LEU . 1.8 m-20 -147.93 -175.56 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -89.01 56.59 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 10.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 174' ' ' THR . 0.0 OUTLIER -148.12 -73.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 174' ' ' THR . 9.7 t 32.1 77.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.1 m-20 163.81 -52.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 10.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.97 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 10.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 41.2 t -133.26 -53.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 44.87 91.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 10.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.4 t-20 -51.66 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.9 t 94.21 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 10.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.597 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 154.28 -121.22 1.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 10.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 59.78 146.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 10.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -41.63 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.819 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -124.25 -68.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 1.049 HG21 ' ND2' ' A' ' 49' ' ' ASN . 73.3 t -86.1 137.38 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.245 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.1 140.46 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 108.277 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.807 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -148.77 143.59 11.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -176.91 177.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER 73.33 80.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.477 ' N ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER 36.79 -154.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.286 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -135.51 -49.82 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.464 1.102 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -63.5 139.98 58.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -79.23 93.23 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 37.98 71.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 10.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.3 tttt 48.89 -169.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 36' ' ' VAL . 33.1 m -83.82 57.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 172.18 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 10.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.1 p -113.52 82.07 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 10.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.56 161.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.48 -74.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 96.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 10.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 125.55 159.19 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.521 1.138 . . . . 10.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -58.17 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 10.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -167.06 155.95 10.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 10.0 109.652 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.804 HG22 ' N ' ' A' ' 188' ' ' ALA . 3.8 t -85.41 75.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -36.77 108.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.65 88.98 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 10.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 53' ' ' LYS . 97.7 t -108.81 105.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.6 p30 -98.6 -170.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.7 tpt85 -28.76 -89.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.3 mt-10 -105.62 -31.6 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.661 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -29.41 -40.74 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 48' ' ' VAL . 16.0 tttm 72.49 -52.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 10.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.07 128.73 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 77' ' ' LEU . 1.5 m -113.48 12.68 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' CD1' ' A' ' 47' ' ' LEU . . . 137.15 -129.62 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.107 . . . . 10.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 47' ' ' LEU . 3.1 p90 177.79 162.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 10.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 47' ' ' LEU . 1.6 mp -124.29 97.65 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 70' ' ' ILE . 1.1 pt-20 -122.66 129.04 51.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.799 HG23 ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.2 146.69 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -149.49 107.25 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -37.72 120.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -96.55 -113.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 170.6 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.84 -69.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -134.74 -166.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.09 -91.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 10.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 68' ' ' LEU . 1.7 pt? -127.45 148.69 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 10.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 1.041 ' O ' HD13 ' A' ' 70' ' ' ILE . 2.6 m-20 -135.03 11.21 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 69' ' ' ASP . 2.1 mm -139.52 163.59 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 10.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.933 ' CD2' HG22 ' A' ' 58' ' ' ILE . 0.0 OUTLIER 76.86 46.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.563 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.834 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -162.17 56.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.15 177.5 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 10.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -145.98 172.55 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.89 -11.13 31.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 10.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.59 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER 71.65 86.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 10.0 110.024 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD11 HG11 ' A' ' 55' ' ' VAL . 1.1 mt -34.52 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 157.97 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 10.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 56.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 10.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 26.88 45.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 10.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.594 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -63.83 150.05 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 10.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.82 ' C ' HD13 ' A' ' 83' ' ' LEU . 47.7 m -96.55 107.39 19.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -108.85 112.46 24.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.46 137.24 9.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.834 ' CZ ' HG22 ' A' ' 72' ' ' ILE . 6.7 p90 -133.37 157.97 44.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 10.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -176.88 137.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 10.0 109.626 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 87' ' ' ILE . 2.2 mp -46.28 110.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -150.75 143.54 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 10.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.47 143.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 10.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 5.0 pttt -106.99 92.97 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 10.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.04 166.25 11.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.417 ' CB ' ' CB ' ' A' ' 188' ' ' ALA . 37.5 p -86.08 147.6 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 10.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.47 99.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 108.322 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' VAL . 26.6 m -144.37 69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 64.86 88.8 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.01 -38.32 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER 79.55 -70.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER 167.1 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 111.03 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.88 -67.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t 55.59 99.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 109.995 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.58 83.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.24 -140.74 6.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 10.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.7 150.31 22.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -74.98 -87.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 10.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.7 -169.98 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 10.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -133.57 89.84 30.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 10.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.31 41.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 10.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -72.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -159.74 -67.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 112' ' ' HIS . 1.6 mttp -97.19 -81.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.07 -60.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 10.0 110.273 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 110' ' ' LYS . 34.8 m170 -40.31 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 10.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.59 124.75 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 10.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -38.86 -46.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 10.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -149.47 78.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.98 172.33 5.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 10.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.25 -33.14 61.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.9 167.01 5.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 10.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.47 113.13 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 10.0 109.59 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.653 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.4 p80 -124.7 -69.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.606 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . 81.3 -53.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 10.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.89 -40.42 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 10.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -174.12 143.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 10.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.37 3.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.02 25.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 136' ' ' VAL . 72.6 m-20 -84.11 62.84 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 10.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.57 70.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.3 OUTLIER -119.7 59.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 10.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.594 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 36.73 -150.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 73.71 -54.35 2.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 10.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -89.41 21.52 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 10.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 61.49 42.05 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 10.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 39.23 25.92 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 10.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 133' ' ' ASP . 9.9 mtpt -90.2 59.34 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.828 ' O ' HG12 ' A' ' 136' ' ' VAL . 12.7 t -113.01 58.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.878 ' O ' HG22 ' A' ' 138' ' ' VAL . 20.9 p-10 -77.44 177.85 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 137' ' ' ASP . 4.6 m 55.0 163.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.51 HD12 HG12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -129.73 -169.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 10.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 3.3 mtt -119.86 94.96 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.6 t30 62.33 146.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.48 143.47 44.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 10.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 10.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.54 47.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 10.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.588 ' HA ' HG21 ' A' ' 155' ' ' ILE . 68.5 p -103.81 65.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -79.38 119.4 22.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.021 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 68' ' ' LEU . 4.1 mt -75.18 -21.62 58.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 10.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.56 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 10.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -126.05 -46.92 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 10.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.45 -50.41 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 10.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -113.43 46.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 10.0 109.97 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' SER . 0.0 OUTLIER 37.99 -154.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.9 pp -88.57 61.02 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -90.89 37.52 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 10.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.655 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.68 -34.38 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 190' ' ' LEU . 1.5 mt -85.53 -142.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -176.3 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.36 12.35 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 156' ' ' LEU . . . 81.62 -97.94 1.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 156' ' ' LEU . 9.1 t -159.09 172.06 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 0.79 . . . . 10.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.4 113.93 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.722 ' CE2' ' CG ' ' A' ' 85' ' ' PHE . 5.0 m-85 -85.77 99.84 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.6 pt -96.07 101.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 165' ' ' ILE . 3.2 mp -97.28 114.77 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.545 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 3.3 p80 -176.88 173.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.38 10.08 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 4.6 mm100 -88.85 174.61 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 170' ' ' ASP . . . -85.92 166.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 10.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . 31.0 m-20 53.83 171.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 10.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER 169.16 -47.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.02 -50.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 10.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 174' ' ' THR . 0.9 OUTLIER -165.48 -64.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 10.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 175' ' ' ASN . 0.6 OUTLIER 176.97 176.94 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 174' ' ' THR . 6.7 m-20 153.66 162.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.257 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 10.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.38 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 180' ' ' SER . . . 70.67 125.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 10.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -69.87 58.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 10.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.444 ' CB ' ' OD1' ' A' ' 171' ' ' ASP . 34.0 t -160.83 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . -111.49 51.06 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.541 1.151 . . . . 10.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 178.95 143.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 10.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.545 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -59.05 124.22 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.678 HG12 HG23 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -141.46 -42.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.678 HG23 HG12 ' A' ' 184' ' ' ILE . 9.1 t -85.6 112.23 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.97 131.47 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.455 ' N ' HG13 ' A' ' 45' ' ' VAL . . . -135.57 -43.05 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 10.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.804 ' N ' HG22 ' A' ' 45' ' ' VAL . . . 58.27 166.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 10.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 30.2 mt 56.56 85.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 10.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 156' ' ' LEU . 0.2 OUTLIER -66.55 -173.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -50.3 91.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 10.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 190' ' ' LEU . 10.8 t30 -147.36 138.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -154.84 136.64 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 10.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.86 123.56 50.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -169.6 149.18 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 10.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 110.255 179.928 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' VAL . 13.4 p -151.6 54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.44 154.97 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 p -139.19 -47.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.5 m 63.01 171.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 10.0 110.042 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -138.47 -65.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -176.75 -178.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.73 138.94 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 10.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -67.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 10.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.27 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 10.0 109.562 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.666 HG13 ' C ' ' A' ' 187' ' ' GLY . 39.0 t -123.72 58.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.559 ' C ' HD13 ' A' ' 47' ' ' LEU . 3.0 pm0 -84.86 145.39 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.87 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -119.48 101.16 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 53' ' ' LYS . 2.8 t -129.46 106.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.788 ' OD1' HG11 ' A' ' 185' ' ' VAL . 2.3 m-80 -87.95 152.38 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.12 -55.17 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' LYS . 75.5 mm-40 -95.63 -51.18 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 10.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' ' 77' ' ' LEU . . . -37.7 -29.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.108 . . . . 10.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' O ' HG22 ' A' ' 48' ' ' VAL . 19.2 tptt 71.36 -51.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 10.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 176.67 121.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' HG ' ' A' ' 77' ' ' LEU . 4.5 m -90.46 21.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.52 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 111.27 -111.09 2.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 10.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.732 ' N ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 170.66 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 10.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.719 HG23 ' CG2' ' A' ' 72' ' ' ILE . 9.2 mt -111.16 91.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 71' ' ' HIS . 52.6 mm-40 -95.52 128.39 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -110.96 174.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -167.63 72.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 10.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -11.46 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 t -67.1 -146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.68 38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.84 -84.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -156.36 158.28 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 142' ' ' ALA . . . 50.35 -164.67 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 10.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.884 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -89.75 127.42 35.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.747 ' HA ' HG22 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -134.97 36.6 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.756 ' CG2' HD22 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -84.5 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -115.48 80.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.594 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.4 pp -106.52 125.29 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -156.05 110.68 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 10.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB3' ' CA ' ' A' ' 134' ' ' GLY . . . -75.9 178.65 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 10.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' HB2' ' CA ' ' A' ' 56' ' ' GLY . 1.4 m-20 -95.9 -13.15 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.684 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.3 t 57.34 72.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 10.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.803 ' HG ' HG12 ' A' ' 55' ' ' VAL . 2.2 mt -11.29 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.567 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.86 -57.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 78.13 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.35 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 10.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' H ' HG11 ' A' ' 130' ' ' VAL . . . -82.85 148.54 27.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.831 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.24 94.96 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 10.0 109.99 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.864 ' N ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.22 96.78 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.66 126.65 7.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 1.127 ' CE2' HD13 ' A' ' 128' ' ' LEU . 38.4 p90 -170.92 85.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 10.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.676 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -178.74 63.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 10.0 109.603 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 86' ' ' HIS . 2.5 pp -158.56 -173.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.2 p90 -147.47 59.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.588 ' H ' ' HB3' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -61.02 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 10.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.67 104.21 14.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 126.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 10.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.448 ' C ' ' SG ' ' A' ' 93' ' ' CYS . 79.1 p -89.98 123.19 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 10.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 92' ' ' SER . 1.8 m 81.67 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.4 93.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.516 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -76.43 -50.67 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 10.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 10.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 1.7 p-10 172.22 157.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -127.73 -137.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.16 164.89 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 p -135.39 97.22 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.07 -111.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 10.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.67 177.88 52.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 157.54 43.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 10.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.25 156.11 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 10.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -154.36 149.17 19.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.39 31.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 10.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.28 46.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -126.89 -77.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 1.4 pttm -174.01 71.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 10.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 9.2 pt-20 44.57 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 110.262 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER 76.14 121.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.629 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.73 -16.49 56.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 10.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 1.4 p90 -150.9 -47.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 10.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 165.77 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.448 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.3 OUTLIER -142.06 175.8 2.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 10.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.4 Cg_endo -75.02 -64.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 10.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -88.87 -4.46 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 60.79 149.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 10.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 11.47 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 10.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 42.85 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.578 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.3 43.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.87 3.93 18.15 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 10.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.68 115.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 10.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.06 151.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 10.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.08 15.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.771 . . . . 10.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.99 59.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 10.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.127 HD13 ' CE2' ' A' ' 85' ' ' PHE . 1.5 mt -133.32 60.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 10.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 130' ' ' VAL . 10.2 mt-10 -84.94 69.08 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.801 HG13 ' N ' ' A' ' 131' ' ' GLY . 2.6 p 33.29 -147.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.801 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 61.18 45.36 96.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 10.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 89.37 -7.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 129' ' ' GLU . 1.3 m-20 -52.92 -39.97 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.703 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -71.42 -17.05 75.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 10.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.68 59.36 5.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.766 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -105.22 176.78 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 138' ' ' VAL . 7.3 p-10 -163.75 110.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 10.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.945 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.3 OUTLIER 48.23 177.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 10.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.945 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.68 177.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.1 OUTLIER -142.28 155.99 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 10.0 110.987 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 140' ' ' MET . 4.0 t30 43.71 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -152.88 118.41 2.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.68 14.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 10.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 145' ' ' THR . 6.8 m-20 -51.2 -47.83 62.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 144' ' ' ASP . 0.2 OUTLIER 29.32 51.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 155' ' ' ILE . 1.8 p -85.2 44.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.14 -57.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.246 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' LYS . 1.4 tptt -36.42 107.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 150' ' ' GLY . 0.0 OUTLIER -48.12 109.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 10.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 149' ' ' LYS . . . 32.92 92.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.43 -44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 10.0 109.956 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -116.52 -34.12 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 10.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.6 pp -76.21 54.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -80.2 7.72 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 10.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 146' ' ' SER . 0.7 OUTLIER -89.75 21.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.9 pp -82.09 101.61 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 159' ' ' ASP . 0.4 OUTLIER -82.21 82.58 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.15 -61.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 10.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 9.7 t70 -83.58 -60.19 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.5 ' CA ' HD21 ' A' ' 190' ' ' LEU . . . 152.96 -105.31 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -92.08 161.73 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.61 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -142.92 108.81 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 15.0 m-85 -147.8 57.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 186' ' ' CYS . 34.6 pt -86.03 143.44 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.77 ' HB ' HG13 ' A' ' 185' ' ' VAL . 2.6 mp -109.16 143.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 19.4 p80 176.96 178.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 109.6 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.6 OUTLIER 79.71 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 10.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 2.8 mm-40 -137.46 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 10.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -174.67 -80.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.18 115.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -135.24 -53.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -171.41 -47.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 10.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.39 65.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 2.1 t -134.3 72.01 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 10.0 110.417 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.54 150.54 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.01 61.69 5.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 10.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.0 OUTLIER 160.45 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 10.0 109.951 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . 133.78 136.37 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 10.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 178' ' ' GLY . 14.2 t-20 -32.68 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 10.0 109.248 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 1.7 m 81.83 36.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 110.05 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -76.67 0.22 65.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 61.24 144.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.688 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 45.9 81.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 10.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 183' ' ' ARG . 1.5 mp -122.24 -64.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.788 HG11 ' OD1' ' A' ' 49' ' ' ASN . 1.5 p -112.28 146.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 10.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -141.65 146.81 36.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.666 ' C ' HG13 ' A' ' 45' ' ' VAL . . . -173.7 118.61 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 10.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 165.66 103.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.473 ' H ' HG22 ' A' ' 45' ' ' VAL . 3.4 mt -151.97 77.9 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 190' ' ' LEU . 2.1 pp -45.32 150.58 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 133.2 115.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 10.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.447 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 24.8 t-20 -108.51 124.28 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 192' ' ' ASN . 1.0 OUTLIER 54.4 103.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.95 -65.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 10.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 2.7 tttp 74.03 172.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 110.3 179.978 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.3 p -167.65 52.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.47 -176.4 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 10.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.6 t -127.42 159.43 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.54 -175.65 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -105.19 -29.53 10.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 10.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 25.6 p90 42.93 -171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.57 -161.83 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 10.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -62.89 -177.43 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 10.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.71 75.13 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 10.0 109.599 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.787 ' CG1' HD13 ' A' ' 58' ' ' ILE . 2.0 p -122.03 86.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -97.46 100.86 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD11 ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -82.98 84.45 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 10.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.615 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.4 t -113.12 114.74 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.663 ' OD1' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.21 148.2 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -81.24 7.37 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 10.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 179' ' ' ASN . 7.0 mm-40 -104.61 -67.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.77 -78.21 1.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 10.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -178.77 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 10.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 177.5 163.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG12 ' CD2' ' A' ' 77' ' ' LEU . 10.6 m -106.75 -15.69 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.568 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . 162.24 -130.1 2.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.612 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 161.12 166.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 10.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.9 mp -108.53 118.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' OE2' ' CD1' ' A' ' 57' ' ' PHE . 2.0 mt-10 -154.6 82.13 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 10.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.95 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -156.65 -176.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.15 139.44 54.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.97 151.27 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.3 p -105.23 124.11 48.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.3 60.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -66.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.62 -174.99 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 46.93 -133.33 12.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.446 1.092 . . . . 10.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.774 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.4 OUTLIER -137.52 -114.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.77 . . . . 10.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.94 ' CB ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -81.25 -176.89 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.045 ' O ' HD12 ' A' ' 70' ' ' ILE . 2.3 pp -117.24 50.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.864 ' HB2' HG21 ' A' ' 60' ' ' ILE . 0.1 OUTLIER 162.2 62.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 109.608 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.671 HG21 ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -110.1 55.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 38.8 p -103.19 175.81 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 172.95 85.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.833 ' ND2' HD22 ' A' ' 128' ' ' LEU . 14.2 m-80 -157.25 -43.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 10.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -62.93 105.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 10.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.04 -69.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 10.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 163.19 -60.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 10.0 110.315 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.06 44.65 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 10.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.57 51.84 0.31 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 10.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -82.83 176.67 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 10.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.893 ' O ' HD13 ' A' ' 83' ' ' LEU . 72.3 m -91.62 151.74 20.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 10.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -131.54 155.05 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.839 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -159.25 72.87 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.125 . . . . 10.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.72 ' HD1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -103.39 165.49 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 10.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 161.59 126.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 10.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 163' ' ' PHE . 1.7 mp -67.38 108.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 174.19 15.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 10.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 41.81 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' GLY . 11.0 ptmt -84.29 169.82 14.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . -51.42 -173.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 10.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.562 ' CB ' HG21 ' A' ' 164' ' ' ILE . 5.3 t -146.21 136.05 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 10.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 14.5 m 78.22 84.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 10.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 95' ' ' ARG . 9.1 p -152.41 -52.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.506 ' N ' HG13 ' A' ' 94' ' ' VAL . 30.8 mmt180 -145.2 140.16 15.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 10.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.42 141.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 54.17 104.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -55.73 24.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -140.18 151.66 45.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.985 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.6 -77.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.5 -106.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 10.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.85 -173.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 10.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -173.32 145.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 10.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.07 109.35 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 130.99 13.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 10.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.24 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.7 t30 58.09 84.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 10.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.43 59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 50.64 -165.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 10.0 110.253 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.95 12.64 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 10.0 109.572 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.3 125.05 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 10.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.509 ' C ' HD21 ' A' ' 115' ' ' ASN . 0.2 OUTLIER 52.14 25.01 3.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 10.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.509 HD21 ' C ' ' A' ' 114' ' ' PHE . 1.6 m-80 -138.9 18.3 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.703 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 63.7 t30 -65.96 -40.36 37.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 10.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -74.96 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.772 . . . . 10.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 ptm -65.55 -25.91 67.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 10.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ASN . . . 110.96 123.31 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.147 . . . . 10.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 119' ' ' GLY . 5.1 p-80 -37.49 108.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 10.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -29.0 9.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.621 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 61.74 -97.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 10.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.93 13.19 8.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.09 . . . . 10.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 t0 57.85 170.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 10.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.0 156.28 69.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.587 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 10.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.64 78.76 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.833 HD22 ' ND2' ' A' ' 75' ' ' ASN . 12.9 mt -136.42 123.23 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -142.33 138.36 31.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.709 HG22 HD21 ' A' ' 83' ' ' LEU . 2.1 t -59.58 -145.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 10.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 59.17 26.02 60.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 90.06 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 10.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.495 ' CB ' ' HG3' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -46.53 -26.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 10.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -66.73 -29.02 74.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 10.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -83.53 74.63 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 10.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.1 t -114.03 110.75 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.7 p-10 -77.28 99.53 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.947 ' C ' HD13 ' A' ' 139' ' ' ILE . 4.2 m -80.8 100.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.947 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -133.8 18.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 10.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.19 20.5 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -146.56 49.46 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -142.59 131.02 11.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.453 ' O ' ' OD1' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.97 -43.06 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 143' ' ' PRO . 0.1 OUTLIER 176.35 69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.774 ' OG1' HD22 ' A' ' 68' ' ' LEU . 43.6 p -85.39 69.41 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -72.27 96.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 109.998 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.414 ' C ' ' HG3' ' A' ' 148' ' ' LYS . 13.9 mt -44.57 -38.21 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 10.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.552 ' O ' ' CE ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -178.14 60.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -146.9 -80.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 146' ' ' SER . . . -37.73 -45.21 1.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 10.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.64 58.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 10.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 163.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 153' ' ' LEU . 2.9 pp -73.43 66.83 1.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 10.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -99.67 10.31 41.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -77.76 -14.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.848 HD12 ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.45 -168.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.41 82.41 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 68.67 -72.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 10.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -147.87 46.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.61 76.44 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.848 ' OG ' HD12 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -119.98 5.95 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 10.0 110.009 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.631 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -83.13 136.3 34.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 0.3 OUTLIER -116.73 92.15 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 10.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 164' ' ' ILE . 0.1 OUTLIER -86.77 123.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.839 HG23 ' H ' ' A' ' 84' ' ' GLY . 4.9 mp -85.75 126.45 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -165.97 175.94 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 10.0 109.583 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 1.5 mt-10 84.13 -10.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 2.2 mt-30 -146.77 164.49 32.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 86.47 148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 179' ' ' ASN . 6.4 p-10 165.2 119.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 2.3 t0 177.46 -163.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 10.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.444 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.1 OUTLIER 69.77 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 172' ' ' TYR . 0.8 OUTLIER -166.27 75.51 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 10.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.526 HG23 ' HA2' ' A' ' 178' ' ' GLY . 0.1 OUTLIER -114.82 55.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 10.0 110.37 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 174' ' ' THR . 0.9 OUTLIER 54.11 170.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.5 3.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 10.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.35 -74.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.526 ' HA2' HG23 ' A' ' 174' ' ' THR . . . 131.55 129.67 3.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 10.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.518 HD21 HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -67.43 -142.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 179' ' ' ASN . 3.7 p 85.52 53.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 10.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.62 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -179.2 127.15 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.642 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 78.91 154.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 10.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.46 116.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 182' ' ' ALA . 1.2 mp -113.1 -39.04 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.4 p -129.69 133.6 64.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 146.34 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 108.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -114.19 -20.32 5.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.559 1.162 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 60.64 117.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 10.0 109.256 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 189' ' ' LEU . 3.3 pp -155.04 58.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.26 33.01 2.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 60.5 98.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.568 1.168 . . . . 10.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -148.98 106.25 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 10.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -173.0 126.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 10.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 56.43 176.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 110.283 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 165.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 10.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 10.0 110.315 -179.975 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 190' ' ' LEU . 7.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 61.8 t -93.07 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -98.91 47.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 10.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -80.82 -7.64 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 110.42 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m 50.19 64.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.93 25.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 10.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 14.6 m-85 47.85 22.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.78 -164.5 12.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.133 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 18.2 p80 41.22 86.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 10.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 40.0 t60 -117.78 160.59 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.875 HG12 ' HA3' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -122.82 116.86 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.63 89.56 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 10.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.884 ' CD1' HD11 ' A' ' 58' ' ' ILE . 3.2 mt -86.54 100.4 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.62 HG12 HG21 ' A' ' 185' ' ' VAL . 5.0 t -122.4 155.24 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.626 ' OD1' HD11 ' A' ' 77' ' ' LEU . 2.4 m120 -112.02 -17.6 12.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 82.96 -7.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' ND2' ' A' ' 179' ' ' ASN . 26.5 mt-10 -97.11 -74.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 10.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.49 -75.23 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -179.13 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 10.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.7 167.49 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -124.1 19.8 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -149.62 18.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 10.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' C ' HD12 ' A' ' 58' ' ' ILE . 16.8 p90 -165.93 166.62 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.884 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -130.65 108.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 10.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -135.99 86.14 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -135.09 144.36 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.67 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 175.19 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -150.78 158.13 43.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 10.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -148.5 -173.18 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -157.68 -103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.22 -35.67 7.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 67' ' ' GLY . 5.0 mm-40 -99.69 -170.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 10.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.944 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -24.85 -99.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 10.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 ' O ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -159.41 139.55 11.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 10.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.17 59.35 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.064 HD11 HD12 ' A' ' 139' ' ' ILE . 1.1 pp -79.93 152.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 60' ' ' ILE . 4.1 m-70 -113.55 63.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 60' ' ' ILE . 1.3 mt -79.98 99.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 82.7 p -153.79 162.27 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 10.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -129.02 167.63 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 10.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -14.74 50.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 10.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.882 ' HA ' HD11 ' A' ' 83' ' ' LEU . 3.4 t 45.84 56.56 5.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 10.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD11 ' OD1' ' A' ' 49' ' ' ASN . 7.2 mt 34.49 -91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 163.46 -55.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.04 109.21 2.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 10.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 30.84 65.97 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' ' OG ' ' A' ' 76' ' ' SER . . . -53.8 150.37 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 10.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 168' ' ' GLN . 3.1 m -145.77 59.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 10.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -109.21 116.2 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.19 117.43 5.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 10.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -98.73 138.48 35.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 10.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 6.4 p-80 167.89 123.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.811 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -84.72 106.35 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.9 m-85 -156.7 76.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 1.1 mt-10 179.69 -171.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -146.05 83.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 10.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 45.63 99.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 10.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.72 124.28 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.734 . . . . 10.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 134.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 10.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t 64.32 94.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 60.0 89.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 110.253 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.764 . . . . 10.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.9 OUTLIER 81.81 24.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 97' ' ' ASP . 0.3 OUTLIER 71.55 -58.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 10.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -39.75 125.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 10.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -159.93 157.98 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.53 90.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -156.59 -107.33 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 10.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.94 100.37 2.04 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.71 9.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 51.86 80.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 10.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.08 138.55 97.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' ASN . 18.4 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 60.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 10.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' PRO . 2.8 p30 -56.97 -46.91 81.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -179.8 116.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 116' ' ' ASN . 2.8 mt-10 70.09 -61.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 10.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.54 ' HA ' ' CG ' ' A' ' 120' ' ' HIS . 3.3 t60 69.01 92.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 10.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.58 146.25 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -92.98 8.53 39.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 10.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -151.86 55.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 10.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 111' ' ' GLU . 6.6 m120 -124.12 162.86 39.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 10.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -20.26 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 10.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 6.8 mmt -106.46 -7.55 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 10.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 46.87 -174.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.54 ' CG ' ' HA ' ' A' ' 112' ' ' HIS . 3.4 p-80 -157.47 154.86 29.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 10.0 109.609 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.444 ' CG ' ' C ' ' A' ' 120' ' ' HIS . 8.7 m80 -154.73 173.66 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.7 -85.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -145.1 -45.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.88 157.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 10.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.833 HD11 ' OE1' ' A' ' 129' ' ' GLU . 0.6 OUTLIER -106.9 156.78 36.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 10.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.78 ' O ' HD23 ' A' ' 128' ' ' LEU . 3.6 m-20 -81.32 74.94 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 127' ' ' ASN . 9.6 mt -148.49 59.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.833 ' OE1' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -155.76 58.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 10.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.736 HG13 ' CG ' ' A' ' 133' ' ' ASP . 1.5 m -164.34 179.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.736 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -35.87 104.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 10.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . 40.43 32.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 10.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.736 ' CG ' HG13 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -68.19 -14.09 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.528 ' H ' ' CB ' ' A' ' 76' ' ' SER . . . -88.22 2.79 85.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 10.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.616 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.58 56.88 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 72' ' ' ILE . 1.5 t -127.67 120.1 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.731 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -137.29 177.01 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 64.11 154.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 1.064 HD12 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -129.52 128.49 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 16.5 mtp -84.81 88.16 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 140' ' ' MET . 28.1 t30 82.86 95.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.667 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -82.8 134.36 47.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 10.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.06 -61.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.56 59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 10.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.959 ' O ' HD11 ' A' ' 68' ' ' LEU . 2.6 p -95.44 59.91 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 10.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 153' ' ' LEU . 62.8 p -78.29 109.05 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 9.0 mt -59.87 -29.27 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -163.3 119.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -78.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 10.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.61 -43.01 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 10.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.467 ' O ' ' CD ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -104.55 -37.92 6.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 0.78 . . . . 10.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -178.54 173.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -32.91 -58.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 11.0 t-20 76.79 16.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.78 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -115.56 -33.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.872 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -83.64 -152.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 159' ' ' ASP . 18.6 t70 -86.16 42.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.44 -61.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 10.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -83.17 -60.47 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 156' ' ' LEU . . . 167.72 -162.8 36.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 10.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.51 ' CB ' HG12 ' A' ' 87' ' ' ILE . 2.5 t -164.25 -162.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 10.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.401 ' HA ' HD23 ' A' ' 190' ' ' LEU . . . -156.02 148.27 23.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 10.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.21 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.402 HG22 ' HB3' ' A' ' 166' ' ' HIS . 15.9 mt -87.57 116.37 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 83' ' ' LEU . 2.8 mt -93.37 60.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 183' ' ' ARG . 15.1 p-80 -91.46 169.72 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 10.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 70.38 13.94 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 10.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -82.32 176.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 110.259 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -171.99 -166.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 10.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.96 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 10.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -69.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.431 ' O ' ' CB ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER -178.36 55.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 172' ' ' TYR . 0.3 OUTLIER 82.4 87.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.402 ' O ' ' ND2' ' A' ' 175' ' ' ASN . 1.3 t -67.13 126.76 30.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 10.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.5 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.3 OUTLIER 163.83 -52.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 10.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.4 Cg_endo -74.95 8.74 2.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 3.3 p 93.68 41.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 179' ' ' ASN . . . -76.17 -82.52 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 178' ' ' GLY . 1.8 m-80 -171.51 121.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 168' ' ' GLN . 5.0 t -104.57 -65.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 10.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -168.64 -133.21 1.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.472 1.108 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 53.89 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 10.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 3.4 mtm105 -73.44 133.4 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -126.03 -97.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.62 HG21 HG12 ' A' ' 48' ' ' VAL . 2.4 t -101.44 147.41 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 186' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 187' ' ' GLY . 0.5 OUTLIER -137.5 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 108.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.875 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -55.07 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.123 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 151.68 83.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 192' ' ' ASN . 2.3 mt 67.94 132.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -136.13 43.53 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 156.94 66.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 10.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.692 ' HB2' HD22 ' A' ' 189' ' ' LEU . 0.4 OUTLIER 172.04 174.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.7 174.95 10.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.36 160.15 35.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.11 -179.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.16 137.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 10.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -157.52 169.26 25.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 p -151.7 164.59 36.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -164.52 171.82 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.42 -89.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 10.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -100.86 110.96 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 10.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.08 -164.94 39.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.099 . . . . 10.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 190' ' ' LEU . 3.6 m80 -69.82 -169.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 10.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -159.95 166.6 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' H ' ' A' ' 163' ' ' PHE . 0.2 OUTLIER -101.84 114.52 41.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 10.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CA ' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -74.88 91.74 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 58' ' ' ILE . 4.5 mt -97.31 93.42 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.761 ' N ' HG23 ' A' ' 185' ' ' VAL . 2.6 t -140.83 128.04 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -100.43 168.34 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -33.7 70.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.71 -69.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.85 -46.24 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 12.0 tttp 92.46 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 10.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . 178.86 118.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.982 HG23 ' HB1' ' A' ' 74' ' ' ALA . 8.7 m -83.97 -9.59 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 10.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.18 -113.4 0.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 10.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.716 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 163.51 163.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 10.0 110.964 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 47' ' ' LEU . 3.9 mp -99.05 104.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -115.87 114.53 24.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 70' ' ' ILE . 15.9 mt -103.37 114.63 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -108.14 79.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.945 ' HA ' HD13 ' A' ' 68' ' ' LEU . 1.6 mt-10 -36.19 154.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 110.335 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.76 ' H ' HD22 ' A' ' 68' ' ' LEU . 51.7 m -115.75 -81.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 10.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -65.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.22 -51.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 10.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 68' ' ' LEU . 18.2 pt-20 -83.82 -164.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.704 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . -31.51 135.85 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 10.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.945 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.76 166.01 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -85.14 66.09 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 10.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.883 HG21 HG23 ' A' ' 60' ' ' ILE . 2.5 pp -81.47 127.12 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' CB ' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -100.14 71.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 10.0 109.606 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.782 ' HB ' HG23 ' A' ' 58' ' ' ILE . 1.2 pp -100.24 71.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.678 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.6 p -108.45 132.01 54.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.982 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 163.94 126.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -152.76 -68.94 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.595 ' CB ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -168.2 79.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -83.79 114.53 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 10.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.516 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.68 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 10.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -149.21 42.32 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 10.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 146.07 62.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.574 ' O ' HD13 ' A' ' 83' ' ' LEU . 42.2 m -160.15 58.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -119.51 119.52 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 10.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.15 134.5 8.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -153.53 138.31 17.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 10.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' ILE . 59.4 t-80 -166.43 110.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 10.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' HIS . 8.3 mm -38.88 111.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 174.41 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -118.39 64.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.84 82.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.78 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 10.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -153.65 -60.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.753 . . . . 10.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.66 139.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 10.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 94' ' ' VAL . 75.8 t 65.72 72.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 64.4 94.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 10.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t0 173.7 87.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 54.7 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.82 137.95 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.77 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.78 68.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 10.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.08 118.22 0.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 10.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.85 157.46 24.63 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 10.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -89.25 87.93 7.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 10.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 176.26 89.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -75.0 55.73 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 10.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.9 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.47 -82.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 -120.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 10.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 51.76 -175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 10.4 t-160 54.31 55.69 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.01 -104.2 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 0.4 OUTLIER -39.43 -51.82 2.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 0.755 . . . . 10.0 110.995 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 50.0 t30 83.64 92.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.518 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 1.5 t30 168.88 -53.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 10.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.99 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 10.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 28.44 43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . -124.15 -175.52 14.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 10.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 178.15 163.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -44.15 -61.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.616 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -175.02 36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.03 -27.33 9.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.4 169.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 10.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 113.9 54.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.8 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.476 1.777 . . . . 10.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HD12 ' A' ' 128' ' ' LEU . 4.4 m120 61.4 167.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 127' ' ' ASN . 0.2 OUTLIER 84.02 83.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 10.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.827 ' C ' HG12 ' A' ' 130' ' ' VAL . 1.4 pt-20 -123.73 66.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 10.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 163.42 125.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 76' ' ' SER . . . -42.44 -42.41 4.47 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 10.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 135' ' ' LYS . . . -55.83 -41.65 74.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 10.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.691 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.2 t70 -45.59 -31.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.64 -24.07 65.79 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 10.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' ALA . 2.5 mttt -86.28 56.61 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.47 126.24 74.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.771 ' C ' HG23 ' A' ' 138' ' ' VAL . 20.4 p-10 -174.09 -178.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.771 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 67.44 137.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 10.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.666 HG13 ' HB2' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -138.77 168.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -134.71 103.14 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.1 t30 79.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.704 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -84.37 132.7 46.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 10.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.56 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 10.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.425 ' C ' ' OD2' ' A' ' 144' ' ' ASP . 31.8 t0 -179.98 74.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.501 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 0.7 OUTLIER -97.84 61.23 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 10.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.942 ' HB2' HD23 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 77.57 4.96 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 10.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -121.79 71.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.406 ' HB2' ' CG ' ' A' ' 144' ' ' ASP . 0.0 OUTLIER -139.33 179.74 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.68 8.74 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.34 -64.59 0.28 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 -41.18 13.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 10.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.561 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.4 mttt 62.93 116.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.942 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 25.56 78.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -88.99 -11.91 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 10.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.741 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -109.22 -23.31 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 155' ' ' ILE . 2.9 mm? -83.75 -125.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.557 ' O ' HD13 ' A' ' 153' ' ' LEU . 5.0 t0 -112.78 145.24 40.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -22.05 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.66 -68.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 157' ' ' ASP . . . -144.87 -122.35 1.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -153.8 112.01 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 10.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 189' ' ' LEU . . . -109.37 104.73 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.691 ' H ' HG11 ' A' ' 45' ' ' VAL . 10.3 m-85 -109.75 80.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.23 118.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.481 ' HB ' HG13 ' A' ' 185' ' ' VAL . 3.4 mp -88.71 139.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 1.5 p-80 -179.86 178.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 6.7 mt-10 85.72 -31.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.725 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 71.7 mt-30 -156.89 174.93 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 87.02 -158.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 10.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 74.28 -66.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 10.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.5 t70 176.77 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.15 56.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 10.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 174' ' ' THR . 2.9 mt -122.51 -5.18 8.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 175' ' ' ASN . 9.9 t 43.4 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 110.369 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.502 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 1.2 m-20 56.52 178.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 10.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.99 54.86 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.562 1.822 . . . . 10.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 9.6 t 171.85 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 10.0 110.03 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -170.08 114.46 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.625 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.7 OUTLIER -57.57 -68.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 10.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.0 t 96.05 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 181' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 170' ' ' ASP . . . 177.9 -130.33 1.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 10.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.43 166.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 111.77 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 10.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.603 HD11 ' OD1' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -132.33 -37.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 10.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.761 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -110.86 124.33 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.19 139.81 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 108.305 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.629 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -105.68 -169.21 23.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 10.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 189' ' ' LEU . . . -126.19 77.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -35.25 149.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 10.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.933 ' O ' HD12 ' A' ' 190' ' ' LEU . 4.4 pp -81.65 111.28 17.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 10.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -74.7 -65.62 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 10.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.0 168.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.736 . . . . 10.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -171.7 91.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 10.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 65.03 88.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.38 130.61 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 10.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -79.62 170.74 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 10.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.32 -175.99 14.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 3.0 t-160 58.01 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 10.0 109.57 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 37.2 m80 -149.74 168.82 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 58' ' ' ILE . 4.3 m -90.06 104.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.519 ' HG2' HG12 ' A' ' 48' ' ' VAL . 1.2 pm0 -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 10.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -110.13 99.22 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 10.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.718 ' O ' HG21 ' A' ' 185' ' ' VAL . 1.5 p -129.6 153.18 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 10.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.552 ' ND2' HD12 ' A' ' 83' ' ' LEU . 1.3 m-80 -129.19 145.23 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.56 68.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -119.6 -40.48 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 10.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -44.35 -39.18 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 10.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 7.3 tptt 88.25 -13.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 10.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -55.46 145.37 22.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -155.63 27.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -73.26 -134.48 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 10.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 174.44 162.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 10.0 110.984 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.052 HG23 HG22 ' A' ' 72' ' ' ILE . 13.7 mm -86.51 84.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -86.6 93.38 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 10.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 70' ' ' ILE . 2.3 pt -96.51 129.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -128.57 72.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 10.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.7 pp20? -31.02 137.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -145.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 10.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.06 80.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.55 -79.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -155.09 155.86 34.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 10.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 45.82 -100.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 10.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -145.38 173.68 11.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 10.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.56 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -156.09 37.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -84.18 171.31 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 10.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 8.5 t-80 -121.43 63.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.052 HG22 HG23 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -85.83 92.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 10.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 p -155.04 124.15 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -82.66 172.92 12.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.642 ' HA ' HD11 ' A' ' 77' ' ' LEU . 24.7 p30 -155.56 -173.28 4.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.434 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 20.9 t 66.25 57.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 10.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.747 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.85 -152.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.73 -57.53 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.72 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.97 161.23 39.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 10.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 48.32 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 10.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 169' ' ' ALA . . . -97.28 172.51 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.988 ' O ' HD13 ' A' ' 83' ' ' LEU . 13.8 m -98.13 157.72 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -137.08 61.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 116.51 175.08 17.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 10.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 21.0 t80 -149.27 169.6 20.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.48 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 m170 -60.6 168.34 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.636 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . 1.3 pt -52.35 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.55 ' N ' ' HB3' ' A' ' 162' ' ' ALA . 6.6 m-85 -155.95 59.75 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 10.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.846 ' OE2' HD13 ' A' ' 164' ' ' ILE . 2.4 tt0 -165.56 151.43 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 10.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -100.54 105.83 17.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 10.0 109.259 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.731 ' H ' HD21 ' A' ' 190' ' ' LEU . . . 63.4 149.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 10.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 188' ' ' ALA . 0.3 OUTLIER -83.71 102.95 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.003 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.6 m 47.51 58.77 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 91' ' ' GLY . 4.8 p -150.09 21.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -157.14 120.54 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -88.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -170.93 102.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -167.43 -63.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.99 89.27 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 10.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m 52.96 92.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.04 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.21 -58.98 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.22 -104.3 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 10.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 38.09 -154.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.51 1.795 . . . . 10.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.23 149.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 10.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -119.49 147.79 44.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 10.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 147.27 33.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 10.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HG21 ' A' ' 136' ' ' VAL . 79.8 m-20 -82.83 63.3 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.2 pp -164.3 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -112.41 59.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 10.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 77' ' ' LEU . 3.7 t 51.55 176.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.666 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 113.44 -5.9 24.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -157.25 26.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 10.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.82 27.8 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 55.84 29.96 55.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 10.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 63.5 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.696 HG21 ' O ' ' A' ' 127' ' ' ASN . 0.9 OUTLIER -109.32 96.76 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 23.4 p30 -111.06 118.16 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -93.55 110.6 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -153.19 41.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 9.2 mtp -142.43 105.7 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.6 t30 65.31 119.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.665 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -139.23 156.45 72.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 10.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -165.57 68.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 10.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 155' ' ' ILE . 29.8 p -100.55 61.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 68' ' ' LEU . 4.5 pp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -132.61 94.55 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -85.82 31.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.674 HG21 ' HA ' ' A' ' 145' ' ' THR . 1.1 pt -103.17 48.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -83.54 96.67 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.61 99.6 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 10.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 74.62 -56.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 10.0 110.249 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.705 ' HA ' HD13 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -150.29 59.3 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 159' ' ' ASP . . . 2.41 -108.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 10.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.616 ' OG ' HD13 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.53 104.35 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 10.0 109.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . . . -100.31 139.59 35.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 10.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 161' ' ' SER . 33.8 m-85 -148.2 85.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 10.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.846 HD13 ' OE2' ' A' ' 89' ' ' GLU . 5.0 tp -86.92 124.82 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.658 HD13 HG12 ' A' ' 185' ' ' VAL . 1.6 mp -100.61 79.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -176.94 176.44 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 10.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.42 ' N ' ' ND1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 77.7 -4.76 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -137.78 152.35 49.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 10.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.781 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . . . 174.79 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 10.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 55.3 t0 63.12 34.67 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 171' ' ' ASP . 16.1 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 180' ' ' SER . 6.0 m-20 164.6 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.0 OUTLIER 88.13 20.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 10.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.549 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 146.98 102.75 0.31 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 10.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 173.01 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.764 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.7 ptt85 -65.78 129.83 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.984 HG12 HG23 ' A' ' 185' ' ' VAL . 0.3 OUTLIER -146.87 -43.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 184' ' ' ILE . 41.5 t -123.42 166.01 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 164' ' ' ILE . 8.6 p -156.12 179.34 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.526 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 177.7 36.61 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.57 1.169 . . . . 10.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . . . -92.99 97.27 10.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 10.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 189' ' ' LEU . 6.3 tt -106.43 76.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 10.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.731 HD21 ' H ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' O ' ' CD2' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 29.8 p90 44.21 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 111.047 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.64 -99.83 1.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -157.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 177.45 133.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 10.0 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.117 HG21 ' CE2' ' A' ' 163' ' ' PHE . 1.5 t -84.4 99.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 pt20 -72.54 95.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 10.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.766 ' HG ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.85 88.23 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 53' ' ' LYS . 7.2 p -117.63 126.88 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.887 ' HA ' HG22 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -91.15 150.16 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -28.46 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.9 mt-10 -129.55 -52.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.686 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -37.53 -29.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 10.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.932 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.7 tttt 86.74 -41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 10.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 163.58 147.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 47' ' ' LEU . 2.8 m -86.82 -10.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 146.99 -95.14 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 10.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.501 ' H ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 167.43 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 10.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.672 HG12 HD11 ' A' ' 47' ' ' LEU . 10.1 mm -119.48 96.96 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 10.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 10.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -83.46 138.2 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.699 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -124.74 99.03 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.3 mp0 -34.88 127.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.461 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 22.8 t -113.83 -149.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -173.05 78.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.5 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 pt-20 -146.47 149.7 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.81 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . 36.07 -103.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 10.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.821 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -142.39 108.95 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 10.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 1.004 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.6 t70 -95.03 49.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.77 HD13 HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -91.78 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.29 102.21 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.77 HD12 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -138.31 117.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 10.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' A' ' 135' ' ' LYS . 66.6 m -157.13 85.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . -177.57 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -110.68 -10.65 14.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.738 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -130.39 120.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 10.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.686 HD21 ' HA3' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -49.07 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.7 ttt180 152.97 -44.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -74.96 64.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.45 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 10.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.818 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -64.04 175.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 10.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 1.021 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.4 m -112.85 112.44 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 10.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.021 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -138.41 133.74 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 10.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.762 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -127.54 132.74 7.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 10.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 -125.93 157.09 38.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 10.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 169.8 121.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 10.0 109.616 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CD1' HD11 ' A' ' 155' ' ' ILE . 1.5 pt -78.14 73.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -154.66 67.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -178.27 -172.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 136.91 39.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.71 117.19 4.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 10.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.93 106.82 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 10.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.0 t -145.66 100.27 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 108.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 96' ' ' PRO . 5.4 p -147.38 151.04 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 1.7 mpt_? -36.67 -55.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 10.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.725 ' HD2' HG13 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -83.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 10.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 70.52 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.46 -30.23 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 10.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.34 172.4 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 10.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.81 168.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 47.19 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -117.55 -118.73 2.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.13 . . . . 10.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . 37.06 -98.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 10.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 10.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.12 125.14 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 10.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 125' ' ' LEU . 1.3 pp -145.02 73.27 14.71 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.5 35.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 10.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.34 70.7 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.68 59.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 10.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 130' ' ' VAL . 3.1 pt-20 -91.13 58.88 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.818 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 35.03 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 90.57 -14.81 61.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 10.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -142.68 15.65 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.26 40.23 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' OG ' ' A' ' 76' ' ' SER . . . 48.12 44.1 25.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 10.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 0.1 OUTLIER -82.76 79.61 9.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.2 t -113.05 100.66 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -94.32 90.37 6.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 10.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 1.044 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.3 m -74.08 104.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 1.044 HD13 ' O ' ' A' ' 138' ' ' VAL . 3.2 mm -138.12 10.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.7 mtm -156.45 158.34 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.4 OUTLIER 77.3 46.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.952 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -138.58 116.48 9.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 10.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.41 63.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.952 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 12.1 p -115.63 39.18 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.43 120.77 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.505 ' CD1' HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -56.01 -17.98 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.3 p-10 -80.08 54.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 152' ' ' LYS . 34.6 pt -84.5 -22.28 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 161' ' ' SER . 4.5 pp -111.15 -40.92 4.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 156' ' ' LEU . 7.1 t70 -135.89 148.02 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 10.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.28 -15.86 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 10.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.72 -36.99 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 149.61 -110.85 0.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 10.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 156' ' ' LEU . 68.6 m -138.73 175.1 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 1.117 ' CE2' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -146.55 74.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.944 HG23 ' HA ' ' A' ' 186' ' ' CYS . 3.3 mt -85.02 133.0 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.762 HG23 ' H ' ' A' ' 84' ' ' GLY . 1.2 mp -83.55 112.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.698 ' HA ' HD11 ' A' ' 184' ' ' ILE . 30.1 p-80 -158.47 176.02 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.75 9.39 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 10.0 110.255 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 2.8 mm100 -96.39 175.45 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -116.28 96.54 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.99 141.2 47.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.1 p30 158.03 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 10.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 77.9 p -135.0 61.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 10.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 173.39 78.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 10.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.457 ' C ' HD13 ' A' ' 184' ' ' ILE . . . 58.84 156.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 66.77 75.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.698 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -135.14 -98.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 10.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 49' ' ' ASN . 12.2 t -104.77 149.92 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 10.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.944 ' HA ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -116.65 178.21 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.87 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . 160.42 115.16 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 10.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.958 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -165.24 177.03 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 10.2 mt 63.23 80.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.495 HD23 ' HZ ' ' A' ' 163' ' ' PHE . 17.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 61' ' ' LYS . 7.1 m-85 -82.45 -45.92 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.67 82.34 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 10.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m80 50.08 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 10.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 p80 179.07 122.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.646 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.2 OUTLIER -92.47 94.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -50.41 127.82 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 10.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 mt -93.6 96.13 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG23 ' C ' ' A' ' 53' ' ' LYS . 2.8 p -95.76 106.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.498 ' ND2' HD21 ' A' ' 77' ' ' LEU . 5.5 m-80 -82.62 169.39 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.8 11.08 8.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' HD23 ' A' ' 77' ' ' LEU . 22.7 mm-40 -85.26 15.68 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.69 -60.21 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 10.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.652 ' C ' HG23 ' A' ' 48' ' ' VAL . 18.9 tttm -162.34 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -147.62 141.84 26.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.879 HG11 ' HA ' ' A' ' 77' ' ' LEU . 13.2 m -122.69 -1.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -140.55 -153.72 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 10.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 175.54 168.93 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 10.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.84 HD11 HD11 ' A' ' 47' ' ' LEU . 48.8 mm -95.48 72.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.902 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.1 mt-10 -88.54 68.79 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.775 HG23 HG21 ' A' ' 70' ' ' ILE . 61.2 mt -85.22 121.19 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -124.31 94.43 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 51.4 mm-40 -34.07 128.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -98.96 -150.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -175.7 63.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.92 -72.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 40.8 mt-10 -155.4 151.19 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 10.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.97 -148.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 10.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -99.22 105.75 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.52 38.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.876 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -91.18 175.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -133.32 99.94 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 10.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.921 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.8 pp -131.16 116.51 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 10.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.683 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 15.2 m -113.12 170.66 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.059 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 163.44 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' C ' HD12 ' A' ' 77' ' ' LEU . 16.8 t30 -134.07 -29.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 10.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.541 ' C ' HG21 ' A' ' 55' ' ' VAL . 3.7 t -67.33 58.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.879 ' HA ' HG11 ' A' ' 55' ' ' VAL . 4.2 mp -77.81 -71.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.569 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.01 -58.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 10.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.715 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.05 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 10.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.83 38.98 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' ' H ' ' A' ' 169' ' ' ALA . . . -82.56 175.38 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 53.9 m -84.53 136.33 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.891 ' HA ' HG23 ' A' ' 165' ' ' ILE . 2.2 mm? -118.23 59.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HD23 ' A' ' 125' ' ' LEU . . . -33.44 149.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 10.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -136.78 122.3 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 10.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 30.4 t-80 86.88 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -139.25 -98.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 10.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' GLU . 68.1 t80 -154.79 173.77 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 88' ' ' TYR . 2.0 pt-20 -73.05 91.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 10.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.61 134.52 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.26 75.62 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.72 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 10.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER 72.54 -65.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 71.9 t -38.84 142.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 94' ' ' VAL . 13.7 tpt180 85.07 100.94 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 90.92 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 10.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' GLU . 1.2 m-20 67.78 -153.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 69.45 -59.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -45.65 160.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 10.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -108.05 117.15 33.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.91 -75.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.95 -109.55 0.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 10.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.98 -123.78 25.59 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 10.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.031 -0.827 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.98 162.72 26.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 167' ' ' GLU . 5.3 mp -135.28 62.56 51.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 10.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 5.3 m-20 152.83 144.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.818 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER 45.43 74.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 10.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.0 pt-20 -98.71 58.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.715 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.5 t 39.51 -151.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.604 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 75.9 -54.14 2.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 10.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 135' ' ' LYS . . . -69.81 -34.61 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.9 OUTLIER 85.11 55.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 10.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 75' ' ' ASN . . . 94.54 74.05 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -112.08 55.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 10.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -149.48 90.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 10.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 15.0 p-10 -136.99 138.05 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.6 m 50.3 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.874 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.26 100.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -84.38 135.85 34.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' MET . 12.7 t30 82.04 84.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.11 154.8 71.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -167.6 46.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.626 ' HB ' HD22 ' A' ' 68' ' ' LEU . 1.1 p -64.19 88.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 1.2 m -112.75 65.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 110.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 68' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 10.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 153' ' ' LEU . 45.1 mttt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.64 -63.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 24.9 t-20 70.58 20.5 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -139.41 -43.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.839 ' HB2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -84.87 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' ASP . 37.6 t70 -114.05 87.63 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.777 ' O ' HD11 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 59.27 -84.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 157' ' ' ASP . 3.5 m-20 -144.37 54.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -163.33 140.16 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 10.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.911 ' O ' HD23 ' A' ' 190' ' ' LEU . 3.0 t 155.91 143.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 10.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.815 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -158.6 178.3 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 8.7 m-30 -94.32 118.47 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 10.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 165' ' ' ILE . 82.1 mt -90.5 118.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.891 HG23 ' HA ' ' A' ' 83' ' ' LEU . 1.4 mp -96.88 74.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 183' ' ' ARG . 8.0 p-80 -115.43 175.92 5.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.78 ' HB2' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER 67.54 24.29 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 10.0 110.339 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.826 ' NE2' HD21 ' A' ' 179' ' ' ASN . 2.9 pt20 -82.69 167.85 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.655 ' H ' ' HB1' ' A' ' 81' ' ' ALA . . . -68.47 -175.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -65.33 -174.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 171' ' ' ASP . 28.4 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' A' ' 170' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.826 HD21 ' NE2' ' A' ' 168' ' ' GLN . 8.6 t30 33.75 75.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 10.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.85 40.65 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.704 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 131.01 106.71 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 10.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 161.91 133.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 10.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -63.08 114.97 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 10.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -125.43 -42.11 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 10.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.646 HG11 ' HB ' ' A' ' 165' ' ' ILE . 10.6 p -100.62 118.03 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 10.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.89 128.96 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 10.0 108.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.646 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -112.3 -48.5 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.815 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 32.67 54.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 45' ' ' VAL . 55.2 mt -155.59 62.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 161' ' ' SER . 2.1 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.885 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -133.16 107.61 8.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 10.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.91 -152.28 7.12 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -72.57 -160.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 10.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.65 95.44 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.617 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 17.6 m -132.68 113.3 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -97.47 91.94 5.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 58' ' ' ILE . 3.8 mt -89.0 84.42 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.93 121.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 10.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 1.081 ' ND2' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.04 107.14 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.54 -94.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 10.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -143.24 -11.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -24.79 -57.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 11.4 tptt 172.52 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . 83.48 153.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.057 HG23 ' HB1' ' A' ' 74' ' ' ALA . 15.4 m -84.58 -32.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.6 -115.31 0.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -170.13 174.45 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 10.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.005 HG23 HG22 ' A' ' 72' ' ' ILE . 21.0 mm -114.13 119.36 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.885 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 31.9 mm-40 -149.22 85.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.918 ' CG2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -100.07 175.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -140.3 109.3 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 10.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.721 ' CB ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -32.33 144.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 10.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -132.36 -149.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -150.77 66.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.26 -70.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.7 tt0 -145.06 -154.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.29 130.12 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 10.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.848 ' O ' HD11 ' A' ' 147' ' ' LEU . 4.9 mp -85.5 84.13 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.658 ' HA ' HG21 ' A' ' 60' ' ' ILE . 7.3 m-20 -160.42 52.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 70' ' ' ILE . 20.4 mm -84.25 56.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.3 m170 154.97 59.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HG23 ' A' ' 58' ' ' ILE . 1.8 pp -114.51 68.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 10.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 48.2 p -83.04 176.19 9.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.057 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 88.47 57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.768 ' CG ' HD13 ' A' ' 128' ' ' LEU . 2.1 m-20 -121.81 -15.73 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.4 OUTLIER -145.67 108.11 4.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 10.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.081 HD21 ' ND2' ' A' ' 49' ' ' ASN . 1.2 mp -49.46 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 161.11 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.05 58.84 5.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 10.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 34.11 70.33 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -103.61 175.99 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 10.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.617 ' C ' HD13 ' A' ' 83' ' ' LEU . 16.6 m -121.03 126.11 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.744 HD12 HG21 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -114.7 138.58 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.61 -155.1 24.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 10.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 15.5 p90 -177.77 97.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER 177.02 116.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 109.589 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 161' ' ' SER . 1.1 tp -81.2 149.52 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -84.27 170.05 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 10.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -114.42 -17.71 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 10.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -105.24 27.62 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 94' ' ' VAL . . . 70.77 160.11 3.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 10.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -83.92 98.18 9.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 10.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.3 m 52.07 64.45 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 108.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.567 HG21 HD22 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -148.65 115.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 63.31 86.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 10.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 10.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -175.13 61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 22.3 p90 -127.46 78.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.16 59.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 10.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.5 m 59.0 104.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 10.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.09 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -81.25 -120.95 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.1 . . . . 10.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.19 178.52 52.43 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -166.77 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 10.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 68.08 111.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . 1.2 pp -84.27 113.61 49.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 128' ' ' LEU . 18.1 Cg_endo -75.05 163.16 35.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.408 1.741 . . . . 10.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.423 ' C ' HD23 ' A' ' 128' ' ' LEU . 87.0 m-20 -87.45 67.29 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 10.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 75' ' ' ASN . 1.1 mt -109.59 58.33 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 10.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -84.97 92.38 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 81' ' ' ALA . 79.3 t -32.1 140.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 10.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.08 -32.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 10.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -112.37 -62.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 10.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 149.6 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 10.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' SER . . . 72.61 62.79 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -82.57 59.34 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 10.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.576 HG21 HD22 ' A' ' 75' ' ' ASN . 1.9 t -134.14 126.48 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -168.48 56.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 137' ' ' ASP . 2.3 t -167.79 166.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -134.28 76.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 10.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 19.05 3.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -170.66 83.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 10.0 109.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.77 123.09 18.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 10.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -178.77 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.6 p -94.97 64.35 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 152' ' ' LYS . 9.9 m -87.45 117.08 26.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 10.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.848 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 146' ' ' SER . 40.2 mmtt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -81.79 54.22 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.78 10.48 15.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 10.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.679 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.01 -31.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.679 HD23 ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -124.55 58.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 153' ' ' LEU . 3.6 t0 -133.9 -87.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 157' ' ' ASP . 0.8 OUTLIER -55.16 -29.17 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.46 47.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 10.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -112.83 -155.3 12.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.134 . . . . 10.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.6 t 158.19 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 10.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -83.4 174.9 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.36 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 165' ' ' ILE . 6.6 pt -122.44 139.8 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 165' ' ' ILE . 2.6 mp -117.53 94.28 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 1.1 p80 -144.36 177.7 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' CG ' ' A' ' 168' ' ' GLN . 0.2 OUTLIER 76.54 -0.16 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -153.07 173.05 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.571 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 68.66 87.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -93.89 174.2 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 10.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 10.0 109.326 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.1 t-20 170.05 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.4 t 81.44 42.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . -158.16 102.43 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 52.83 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 10.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.53 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.4 mtm-85 -50.76 126.92 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 10.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.544 ' CD1' HG12 ' A' ' 185' ' ' VAL . 2.5 pp -127.73 -42.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 165' ' ' ILE . 4.3 p -119.82 134.17 64.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 10.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.481 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -155.61 143.56 19.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 108.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 188' ' ' ALA . . . -90.64 -118.69 2.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 172.11 83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.2 OUTLIER -135.71 105.86 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.567 HD22 HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.5 t80 -166.53 172.16 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 83.62 146.2 6.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 10.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 178.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 10.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 5.5 p80 -176.65 152.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 10.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.562 HG21 ' HA2' ' A' ' 187' ' ' GLY . 12.5 p -99.01 118.82 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -67.23 99.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 45' ' ' VAL . 14.4 mt -84.76 88.48 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 10.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 9.4 p -114.71 139.99 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -110.74 164.37 12.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -54.88 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.4 mm-40 -108.01 -47.71 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -28.98 -47.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 10.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 87.05 -29.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 10.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.35 162.55 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 10.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 HD21 ' A' ' 77' ' ' LEU . 31.5 m -151.49 20.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.33 -151.01 17.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 10.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 p90 -178.82 175.21 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 10.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 7.1 mm -116.94 96.81 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 2.5 mt-10 -138.19 121.64 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 10.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 147' ' ' LEU . 2.7 mt -109.18 142.33 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.98 85.24 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 10.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.82 124.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -147.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -156.13 63.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -135.8 -166.7 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.86 139.0 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 10.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.628 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -86.17 96.48 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 10.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.543 ' HB3' HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -161.84 49.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.708 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 14.0 mm -87.21 53.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.708 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 m170 149.58 57.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 HG22 ' A' ' 138' ' ' VAL . 2.0 pp -118.35 57.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.42 176.72 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' C ' ' ND2' ' A' ' 75' ' ' ASN . . . -147.09 57.71 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.868 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.44 151.26 24.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.649 ' H ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER 166.31 55.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 109.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.835 HD22 ' CB ' ' A' ' 81' ' ' ALA . 2.8 mp -107.79 -96.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.661 ' N ' HG11 ' A' ' 130' ' ' VAL . 1.5 mtt180 160.22 -50.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 10.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.0 Cg_endo -75.04 52.62 3.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 10.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.23 38.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 10.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.835 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -63.19 159.96 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.85 ' C ' HD13 ' A' ' 83' ' ' LEU . 10.2 m -100.51 128.07 46.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 10.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.997 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -122.34 92.05 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.28 128.42 44.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 86' ' ' HIS . 2.1 t80 -125.63 170.61 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 173.21 174.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.581 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 155' ' ' ILE . 17.5 mm -95.6 -39.23 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 24.7 p90 -151.99 152.15 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -82.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.57 48.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.18 165.67 41.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 10.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.721 ' HB2' ' HB1' ' A' ' 188' ' ' ALA . 3.1 t -84.82 125.17 32.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 127.51 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 95' ' ' ARG . 7.5 p -159.36 -49.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 10.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 94' ' ' VAL . 37.2 mmt180 -65.73 157.26 80.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 121.22 6.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 128.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' SER . 3.4 t80 -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 10.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.9 80.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 10.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' PHE . 80.7 p -177.08 151.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.47 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.75 -105.83 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.5 -173.77 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 10.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.01 123.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 10.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.41 130.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 125' ' ' LEU . 18.1 Cg_endo -75.02 170.95 19.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 10.0 110.983 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -92.96 59.85 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 136' ' ' VAL . 4.7 mt -129.47 59.06 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 4.0 pt-20 -94.85 62.56 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.661 HG11 ' N ' ' A' ' 78' ' ' ARG . 1.5 t 38.56 -147.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.542 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 86.83 -66.57 3.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 10.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -65.33 -38.72 90.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 9.5 m-20 149.41 -14.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.515 ' O ' ' O ' ' A' ' 75' ' ' ASN . . . 87.25 19.55 54.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 10.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -114.93 83.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 10.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 128' ' ' LEU . 0.9 OUTLIER -110.77 117.19 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.24 128.72 54.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 10.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.966 HG22 HD11 ' A' ' 72' ' ' ILE . 2.6 m -111.89 107.88 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -141.48 35.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 141' ' ' ASN . 3.4 ptt? -100.88 126.79 47.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 140' ' ' MET . 1.8 t30 41.28 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.76 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -111.46 145.82 33.36 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.05 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 10.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.91 59.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.76 HG23 ' HB1' ' A' ' 142' ' ' ALA . 46.0 p -53.61 96.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.15 70.46 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 10.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 153' ' ' LEU . 16.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' LEU . 14.4 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -38.33 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 12.8 t30 66.16 10.6 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.24 -24.92 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 155' ' ' ILE . 2.7 mm? -86.57 -162.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 159' ' ' ASP . 19.7 t70 -85.39 74.78 10.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 64.06 -78.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 10.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 157' ' ' ASP . 2.7 p-10 -141.9 50.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 156' ' ' LEU . . . -170.62 -136.97 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 10.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.554 ' OG ' ' CZ ' ' A' ' 163' ' ' PHE . 0.1 OUTLIER -162.0 -171.13 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 10.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -148.83 109.18 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 21.5 m-85 -148.21 81.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.2 pt -92.22 125.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 10.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.997 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -118.53 71.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 10.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 4.0 p-80 -136.7 176.9 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 80.05 -11.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 10.0 110.334 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 37.0 mm-40 -142.37 176.07 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . 58.92 -173.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 5.3 t0 80.36 146.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 180' ' ' SER . 16.5 t-20 -42.83 -47.87 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER 83.94 -10.99 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 10.0 109.969 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 64.52 -74.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 58.21 113.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 182' ' ' ALA . 10.6 ttm180 33.24 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.781 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -135.57 -57.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.781 ' N ' HD12 ' A' ' 184' ' ' ILE . 9.5 p -104.05 154.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 144.3 21.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 108.34 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -101.96 -115.73 4.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 10.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.721 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . 75.53 175.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 10.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 190' ' ' LEU . 5.7 mt 65.54 67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -47.75 -72.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 10.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.81 102.28 1.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.119 . . . . 10.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -97.1 100.1 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 10.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -144.72 57.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 10.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 187' ' ' GLY . 3.6 t -142.25 76.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.58 106.41 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 10.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HG13 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -101.21 87.12 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 53' ' ' LYS . 5.7 t -125.39 100.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 10.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.798 HD21 HD21 ' A' ' 77' ' ' LEU . 18.5 p30 -84.93 170.65 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -91.37 37.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.759 ' OE2' ' HB1' ' A' ' 169' ' ' ALA . 91.8 mt-10 -114.32 -77.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.26 -73.97 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 10.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -169.06 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 10.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -167.56 146.17 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.461 HG12 HD11 ' A' ' 77' ' ' LEU . 11.4 m -84.92 -21.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.41 -129.14 2.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.73 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -172.34 160.84 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 10.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.807 ' CG1' HG11 ' A' ' 45' ' ' VAL . 21.2 mm -122.85 122.93 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.5 mt-10 -129.66 125.29 35.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.37 145.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -176.07 56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.64 ' H ' HD11 ' A' ' 147' ' ' LEU . 1.2 pt-20 -32.45 121.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 10.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -55.19 -56.02 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 10.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.72 -49.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.3 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -97.28 174.83 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.458 ' HA2' HG23 ' A' ' 70' ' ' ILE . . . -57.47 84.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 10.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.712 ' C ' HG22 ' A' ' 139' ' ' ILE . 1.7 mm? -114.86 -14.7 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 10.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 6.1 t70 -156.91 24.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -85.02 146.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CD2' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -127.76 68.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 60' ' ' ILE . 1.2 pp -105.76 68.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 10.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.43 ' HB2' ' N ' ' A' ' 136' ' ' VAL . 27.8 p -147.85 151.96 36.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -115.38 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -12.32 30.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.4 t 59.36 57.78 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 49' ' ' ASN . 1.1 mt 46.01 -92.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 157.76 -51.21 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 10.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 88.98 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.73 68.26 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 10.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 76' ' ' SER . . . -67.88 159.53 30.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 10.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 50.6 m -132.28 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 10.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -92.43 137.54 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.81 -44.44 7.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' A' ' 128' ' ' LEU . 0.5 OUTLIER 60.69 173.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 10.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.473 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.4 OUTLIER 59.32 106.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -150.58 152.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 87' ' ' ILE . 15.0 m-85 -160.55 58.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 10.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER 167.11 47.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 164' ' ' ILE . 12.1 mmmt -139.83 148.99 42.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.595 ' HA2' ' HB1' ' A' ' 188' ' ' ALA . . . 175.5 -38.7 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 10.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -85.92 99.61 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 10.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.431 ' C ' HG12 ' A' ' 94' ' ' VAL . 6.6 m -109.59 156.73 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 10.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 94' ' ' VAL . 4.1 p 41.43 43.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -145.09 146.14 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.76 135.69 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -141.17 77.18 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.64 -75.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 10.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.7 t -165.7 94.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.3 -45.33 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.06 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 10.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.91 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 10.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 10.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.84 153.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mt -124.38 155.05 69.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -74.96 170.41 20.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.46 66.1 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -136.31 62.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.492 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -153.35 64.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 10.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.9 OUTLIER -153.64 -156.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 10.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.863 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -48.75 -85.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 10.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.24 38.18 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 10.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -72.33 -17.84 61.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -85.43 -1.55 87.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 10.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 58.03 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 10.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.4 t -108.98 91.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 71' ' ' HIS . 3.3 m-20 -109.77 116.79 32.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 10.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.9 m -91.66 93.22 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.712 HG22 ' C ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.25 8.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.55 107.4 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 69.85 55.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.6 173.11 7.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 10.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.08 -42.44 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 1.4 m-20 154.74 69.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 10.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 17.9 p -76.94 54.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 152' ' ' LYS . 4.5 m -76.85 112.83 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.447 ' HG2' HD23 ' A' ' 153' ' ' LEU . 4.9 ttmt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.664 ' HB2' HD11 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -135.85 89.83 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -107.63 30.34 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -7.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.09 -163.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.515 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.55 176.53 8.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 10.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -25.5 26.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 10.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.54 -52.24 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 166.07 -141.67 7.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.152 . . . . 10.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.1 p 158.6 144.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 10.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -158.41 175.45 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 10.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 61.6 m-85 -83.18 95.63 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 10.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 166' ' ' HIS . 1.8 mp -84.32 144.62 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 83' ' ' LEU . 1.3 mp -116.25 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.872 ' CE1' HG21 ' A' ' 164' ' ' ILE . 0.3 OUTLIER -147.4 173.79 12.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 10.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 79.4 -25.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 10.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 5.6 mt-30 -131.5 161.57 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.759 ' HB1' ' OE2' ' A' ' 51' ' ' GLU . . . -141.31 -90.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.78 37.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 10.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -94.06 32.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 10.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.755 ' HA ' ' HB2' ' A' ' 169' ' ' ALA . 15.5 p -95.67 49.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 184' ' ' ILE . . . -119.84 95.59 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 10.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 166' ' ' HIS . . . -36.28 154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.6 OUTLIER 79.92 58.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.355 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.822 HG12 HG12 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -130.45 -44.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.822 HG12 HG12 ' A' ' 184' ' ' ILE . 0.7 OUTLIER -135.61 144.76 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 10.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.411 ' HA ' HG23 ' A' ' 164' ' ' ILE . 1.6 p -156.47 137.13 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 1.019 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -114.95 13.97 19.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.595 ' HB1' ' HA2' ' A' ' 91' ' ' GLY . . . -49.21 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 10.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' A' ' 91' ' ' GLY . 11.7 mt 57.51 60.93 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 10.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.751 HD23 HG21 ' A' ' 45' ' ' VAL . 29.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 59' ' ' GLU . 12.0 p90 -68.62 59.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -36.87 -68.74 0.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -43.72 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 10.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -170.8 160.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 10.0 109.588 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.982 HG11 ' HA2' ' A' ' 187' ' ' GLY . 42.9 t -140.17 138.67 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 10.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.24 105.41 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 10.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -83.41 96.89 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.608 ' N ' HG21 ' A' ' 185' ' ' VAL . 1.1 t -103.82 122.75 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.996 ' ND2' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.93 166.94 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -60.66 -51.3 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 10.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -118.83 -37.21 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -46.8 -35.11 7.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 10.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.8 tptt 91.94 -22.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 10.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . 179.45 141.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 10.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.996 HG12 ' ND2' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -106.34 21.91 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 116.71 -138.91 14.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 47' ' ' LEU . 5.3 p90 -157.76 160.41 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 10.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.82 HD11 HD21 ' A' ' 47' ' ' LEU . 17.9 mm -105.88 137.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 41' ' ' PHE . 24.8 mt-10 -149.56 70.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.932 HG23 HG21 ' A' ' 70' ' ' ILE . 63.3 mt -87.66 106.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -105.89 84.66 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.6 mp0 -30.84 127.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 10.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 13.1 t -103.34 -148.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.29 77.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.95 -82.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 10.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -155.59 157.0 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 145' ' ' THR . . . 42.17 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.882 HD23 ' OG1' ' A' ' 145' ' ' THR . 4.4 pp -153.5 159.35 42.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 139' ' ' ILE . 12.2 t0 -156.97 39.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.932 HG21 HG23 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -84.52 172.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -114.94 66.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.9 121.88 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -80.3 176.42 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.03 -10.26 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 130' ' ' VAL . 29.1 t 45.82 56.79 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 10.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.824 ' CD1' HD11 ' A' ' 83' ' ' LEU . 11.1 mt 39.61 -86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 162.11 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.99 58.82 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 10.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.47 57.75 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.555 1.159 . . . . 10.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -94.13 155.9 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 63.3 m -83.07 92.33 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 10.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.824 HD11 ' CD1' ' A' ' 77' ' ' LEU . 2.5 mm? -98.56 87.71 3.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.88 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 148.53 168.58 14.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 10.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' HIS . 1.4 t80 177.17 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 10.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' PHE . 12.5 t-80 58.13 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 10.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.761 HG23 ' N ' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -61.76 -158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.761 ' N ' HG23 ' A' ' 87' ' ' ILE . 2.9 p90 -86.19 175.12 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.11 -55.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 10.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 99.4 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.24 163.8 6.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 10.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -96.24 -154.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 m -96.86 85.6 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.09 30.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 10.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.54 146.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 10.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -173.76 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.03 108.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.3 175.44 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 10.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.93 -63.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.31 -75.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.96 -109.55 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 10.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.71 83.97 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 10.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.978 -0.849 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.49 159.49 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 126' ' ' PRO . 1.0 OUTLIER -147.53 143.76 18.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 10.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.82 59.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.41 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 16.4 mt -146.47 65.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.3 pt-20 -84.0 56.55 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 76' ' ' SER . 1.5 t 31.65 -144.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 89.96 -36.18 3.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 10.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -125.2 3.58 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 76.9 65.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 10.0 109.364 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.512 ' N ' ' CB ' ' A' ' 76' ' ' SER . . . 40.69 26.95 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' ASP . 12.4 mtpt -88.83 62.97 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 10.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -112.38 161.61 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 0.8 OUTLIER -139.53 89.96 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 10.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 9.8 m -80.08 117.09 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 69' ' ' ASP . 32.0 mm -114.0 -116.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.547 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -81.92 101.93 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 10.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.93 40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 10.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -115.79 166.8 11.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 10.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -158.35 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.882 ' OG1' HD23 ' A' ' 68' ' ' LEU . 15.5 p -117.99 48.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 10.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 145' ' ' THR . 3.2 pp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.458 ' O ' ' CA ' ' A' ' 147' ' ' LEU . 19.8 mttm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -113.08 -18.9 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 10.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 2.4 t30 68.17 2.53 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.38 45.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 105.0 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' GLU . 4.7 t70 -83.63 175.38 9.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' ASP . 4.2 mt-10 -37.38 -58.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 189' ' ' LEU . 9.2 m-20 -85.74 -54.75 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 174.79 -122.66 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 10.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.568 ' O ' HD11 ' A' ' 190' ' ' LEU . 2.3 p 157.36 131.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 10.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.897 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -156.68 -179.73 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -82.31 118.23 22.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.22 136.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.88 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.4 mp -121.4 118.95 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 13.7 p-80 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 10.0 109.579 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.41 25.06 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.432 ' HG3' ' CB ' ' A' ' 180' ' ' SER . 0.8 OUTLIER -81.42 176.96 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 10.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -133.46 -177.08 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.06 127.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 7.7 m120 41.16 70.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 168' ' ' GLN . 0.1 OUTLIER -175.16 73.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.66 25.73 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 10.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -178.3 175.58 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 10.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 4.0 mtp180 -57.66 124.26 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.694 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -119.41 -72.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.694 ' N ' HG22 ' A' ' 184' ' ' ILE . 6.4 p -99.97 139.73 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 28.0 p -158.41 153.17 24.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 10.0 108.317 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.982 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -108.12 -74.98 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 10.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.897 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 25.5 53.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.595 HD23 ' HB3' ' A' ' 159' ' ' ASP . 77.7 mt -158.66 59.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 153' ' ' LEU . 28.8 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.84 97.3 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.31 -169.79 14.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 18.2 t-160 -106.07 -84.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -167.42 85.11 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 10.0 109.566 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.686 HG11 ' H ' ' A' ' 189' ' ' LEU . 19.4 m -139.51 96.0 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.67 112.65 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -83.83 82.29 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 185' ' ' VAL . 54.4 t -110.25 130.35 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.485 HD21 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.72 164.25 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 179' ' ' ASN . 60.4 mtt180 -84.33 46.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 10.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -124.16 -57.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.19 -77.85 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -173.0 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.917 HG11 ' O ' ' A' ' 75' ' ' ASN . 6.0 m -85.42 -24.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 10.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 154.23 -109.5 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 10.0 111.035 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CD2' ' CG ' ' A' ' 59' ' ' GLU . 13.4 t80 -175.2 156.62 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 10.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 mm -90.04 97.13 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 57' ' ' PHE . 25.5 mt-10 -111.47 69.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.561 HD11 HD22 ' A' ' 190' ' ' LEU . 11.5 pt -82.95 150.47 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -134.28 112.97 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -28.48 140.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -80.34 -171.24 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.94 30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.77 -76.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -153.47 173.47 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 10.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.12 -142.86 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -110.76 105.56 14.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 10.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 9.5 t70 -95.28 41.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.976 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -83.67 175.55 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -131.67 101.16 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 10.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.557 HG21 HG23 ' A' ' 60' ' ' ILE . 2.3 pp -135.14 134.09 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.79 63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -153.07 104.36 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 10.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.917 ' O ' HG11 ' A' ' 55' ' ' VAL . 60.1 m-80 -156.78 -39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.972 ' OG ' HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -151.08 109.75 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.994 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 52.6 mt -76.49 42.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.822 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 67.56 40.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 110.242 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.822 ' HD3' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -74.96 -32.04 5.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' H ' HG21 ' A' ' 130' ' ' VAL . . . 98.51 43.08 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 130' ' ' VAL . . . -136.45 179.4 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.779 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.6 m -81.39 159.91 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.972 HD11 ' OG ' ' A' ' 76' ' ' SER . 2.3 mm? -131.72 106.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' N ' ' NE2' ' A' ' 168' ' ' GLN . . . -85.96 106.3 3.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 72' ' ' ILE . 2.9 t80 -128.97 67.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 10.0 111.034 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.75 146.29 30.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.556 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.545 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.78 120.51 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 10.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 t80 -154.6 94.61 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 10.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 12.0 pt-20 38.5 53.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -133.23 170.5 15.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.19 140.78 2.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -154.22 -171.57 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' SER . 3.8 m 87.59 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 94' ' ' VAL . 58.4 t -110.45 50.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 8.1 mmt180 -155.83 102.23 2.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 10.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -170.07 146.47 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 10.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -138.85 43.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -91.51 166.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 10.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 106.98 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.76 82.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.84 159.3 8.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 10.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.13 -145.89 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.413 ' HA ' ' HA3' ' A' ' 123' ' ' GLY . 18.2 Cg_endo -75.02 -169.36 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 10.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 23.2 t0 80.82 126.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 10.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.16 156.63 50.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.575 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -75.02 68.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 126' ' ' PRO . 51.8 m-20 36.91 58.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 136' ' ' VAL . 14.6 mt -120.91 60.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.578 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.4 pt-20 -84.73 52.1 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 10.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' HB3' ' A' ' 76' ' ' SER . 4.1 p 25.23 -142.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 76.63 -53.6 3.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -71.19 -69.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.0 OUTLIER 154.94 51.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 10.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 45.53 40.72 8.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 10.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 96.81 8.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -109.42 59.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 18.5 p-10 -56.2 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.976 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.1 m 50.42 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -136.81 136.77 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 10.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 141' ' ' ASN . 4.2 mmt -124.52 93.74 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 140' ' ' MET . 13.9 t-20 163.29 64.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.5 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -154.73 145.55 16.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.38 50.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.5 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 6.1 p -85.19 70.84 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 118.69 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 153' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.5 pp -79.99 49.09 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.33 18.15 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.837 HD13 HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -108.24 -21.4 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 155' ' ' ILE . 5.3 mt -83.98 -138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 160' ' ' GLY . 4.0 t70 -102.0 99.28 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 53.52 -95.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.441 ' HA ' HD11 ' A' ' 153' ' ' LEU . 2.1 m-20 -119.68 -4.54 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -122.48 -161.9 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.56 -169.25 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 10.0 109.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -155.5 107.98 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.659 ' CD1' ' HB1' ' A' ' 188' ' ' ALA . 19.0 p90 -157.25 60.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.84 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG11 ' A' ' 185' ' ' VAL . 2.2 mp -107.08 77.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.414 ' O ' ' OE1' ' A' ' 168' ' ' GLN . 2.1 p80 -129.14 176.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 10.0 109.637 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 168' ' ' GLN . 4.2 mt-10 61.49 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 10.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.46 ' NE2' ' N ' ' A' ' 84' ' ' GLY . 1.7 mm100 -94.27 175.7 6.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.65 -172.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 180' ' ' SER . 9.3 p-10 -107.4 -173.5 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' ' ND2' ' A' ' 179' ' ' ASN . 6.8 p-10 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 10.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 50' ' ' ARG . 1.2 m-20 -83.31 53.83 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 170' ' ' ASP . 89.4 p -154.17 73.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 10.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.99 133.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 10.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 71.93 175.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 10.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 137.74 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -134.6 -45.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.708 HG11 ' HB ' ' A' ' 165' ' ' ILE . 8.1 p -116.39 152.89 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.4 147.73 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 108.278 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 172.47 49.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 10.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' A' ' 163' ' ' PHE . . . -127.11 66.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.686 ' H ' HG11 ' A' ' 45' ' ' VAL . 1.4 mt -113.33 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 10.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 60' ' ' ILE . 12.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.93 -52.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.07 -142.17 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 10.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 169.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 10.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -173.07 144.4 1.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.939 HG21 HD12 ' A' ' 189' ' ' LEU . 10.5 t -110.31 62.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 57' ' ' PHE . 6.1 pt20 -37.84 139.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 10.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' A' ' 74' ' ' ALA . 6.5 mt -91.34 93.61 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.788 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 6.3 m -94.9 91.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.779 ' HB3' HG11 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.07 148.18 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.905 ' N ' ' HB1' ' A' ' 169' ' ' ALA . 0.0 OUTLIER 58.44 128.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' CB ' ' NE ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 34.38 31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 34.44 37.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 10.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.806 ' HB2' HH21 ' A' ' 50' ' ' ARG . 14.0 tptm -78.2 -41.16 35.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 10.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 60.38 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 10.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 77' ' ' LEU . 5.2 m -114.15 5.24 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 74' ' ' ALA . . . -144.04 -153.02 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' C ' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER 161.32 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.571 HD13 ' C ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -106.59 99.61 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' OE2' ' CG ' ' A' ' 57' ' ' PHE . 2.6 mt-10 -151.17 88.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 10.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.854 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -109.16 153.74 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' N ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -175.48 58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.7 mt-10 -137.49 -107.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.87 161.86 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 110.018 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 147' ' ' LEU . 4.7 p30 -155.41 58.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.52 -75.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 10.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.94 129.83 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 10.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.828 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 38.09 82.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 10.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -84.78 -164.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -149.69 55.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.63 176.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -108.37 88.41 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 10.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.658 HG21 HG22 ' A' ' 60' ' ' ILE . 1.9 pp -138.51 102.56 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 107.0 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB3' HD12 ' A' ' 47' ' ' LEU . . . -142.02 81.06 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 10.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.501 ' CB ' ' CA ' ' A' ' 134' ' ' GLY . 72.5 m-20 -158.79 -42.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.475 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.3 OUTLIER -74.47 59.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 10.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.018 HD12 HD11 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -45.54 -92.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 10.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.84 -57.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.03 54.02 3.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.96 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 10.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -72.96 156.21 39.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 10.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.3 m -90.74 132.12 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 10.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.24 125.12 47.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -52.79 -167.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 10.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 88' ' ' TYR . 5.4 p90 -81.78 171.19 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 10.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' HD13 ' A' ' 128' ' ' LEU . 37.2 m80 -137.79 159.09 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 10.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' HIS . 1.9 mp 38.96 54.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 10.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -105.03 114.89 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 10.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 44.86 -93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -118.74 -168.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.01 -160.72 28.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.25 167.19 31.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 10.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.93 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 10.0 108.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 94' ' ' VAL . 90.9 t 65.08 50.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 10.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -164.47 111.96 0.89 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -78.44 -178.23 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' ASP . 8.9 m-85 37.65 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.16 -61.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 p -160.95 164.67 30.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.49 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 10.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.22 -127.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 10.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.6 -170.58 13.59 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -79.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 10.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 109.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.81 153.24 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.416 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 18.2 Cg_endo -74.98 166.37 29.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 10.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.498 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.1 m-20 -100.31 175.76 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 10.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 133' ' ' ASP . 1.3 mp 76.47 119.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 10.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.34 60.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.623 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.4 t 48.18 -149.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 58.88 29.74 65.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 10.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 88.3 -13.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 10.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 1.2 t70 -70.84 -2.27 14.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.501 ' CA ' ' CB ' ' A' ' 75' ' ' ASN . . . -120.42 0.35 12.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.99 66.49 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 99.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 138' ' ' VAL . 11.3 p-10 -140.85 154.58 46.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 137' ' ' ASP . 13.8 m 46.48 102.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 142' ' ' ALA . 2.6 mp -88.73 154.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 10.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtm -136.82 21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.614 ' H ' HG22 ' A' ' 139' ' ' ILE . 1.4 m120 164.32 68.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.891 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.68 -178.64 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.891 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.96 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 10.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 t70 176.56 61.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.411 ' OG1' HD22 ' A' ' 68' ' ' LEU . 39.1 p -76.25 69.29 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 10.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -83.61 83.89 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.867 ' O ' HD23 ' A' ' 153' ' ' LEU . 11.7 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 147' ' ' LEU . 2.9 pp -67.23 68.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 152' ' ' LYS . 44.1 t30 -85.0 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.801 HD13 ' C ' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -109.59 -21.12 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 10.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 153' ' ' LEU . 3.0 pp -116.04 -158.6 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 156' ' ' LEU . 24.2 t70 -83.71 151.98 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -47.62 -23.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -84.77 -67.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.667 ' C ' HD13 ' A' ' 156' ' ' LEU . . . -170.49 -165.73 28.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 10.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.662 ' C ' ' HB1' ' A' ' 188' ' ' ALA . 17.9 p -53.9 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 10.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -141.93 106.47 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.787 ' H ' ' HB2' ' A' ' 188' ' ' ALA . 17.3 m-85 -146.18 78.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.5 mm -97.18 129.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 10.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.75 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.5 mp -116.07 124.17 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -155.58 178.46 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.562 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 82.33 -16.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 28.3 mt-30 -156.23 176.98 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.905 ' HB1' ' N ' ' A' ' 50' ' ' ARG . . . 73.27 113.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 10.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.463 ' N ' ' HA ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -78.48 154.47 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 10.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 170' ' ' ASP . 3.1 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.66 ' O ' HG22 ' A' ' 184' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.3 p-10 -141.08 108.66 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 10.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 t 90.23 52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 152.27 132.53 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 67.55 174.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 10.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.426 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 7.2 ttm180 -52.15 129.9 28.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 178' ' ' GLY . 1.6 pp -137.33 -53.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 49' ' ' ASN . 6.2 p -109.16 130.68 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.45 172.26 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 10.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . 152.69 133.99 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 10.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.787 ' HB2' ' H ' ' A' ' 163' ' ' PHE . . . 179.34 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.939 HD12 HG21 ' A' ' 45' ' ' VAL . 24.5 mt -134.3 69.62 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 156' ' ' LEU . 49.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 10.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -151.74 -175.32 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.04 135.17 8.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 2.1 m80 -87.5 -32.88 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 10.0 109.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 63.04 148.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 10.0 109.624 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.779 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.3 OUTLIER -102.62 176.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -98.87 99.88 11.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 10.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 58' ' ' ILE . 1.2 mt -98.33 86.68 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 53' ' ' LYS . 7.0 t -115.21 120.64 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.834 ' CG ' HG11 ' A' ' 185' ' ' VAL . 1.1 m-80 -105.06 168.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.08 31.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' GLY . 3.0 pp20? -95.73 -43.14 8.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 51' ' ' GLU . . . -146.98 -57.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.771 ' O ' HG13 ' A' ' 48' ' ' VAL . 3.1 tttt -178.25 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -142.9 166.28 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 77' ' ' LEU . 14.6 m -133.79 -1.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 75' ' ' ASN . . . 136.63 -153.05 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 51.1 m-85 -157.11 175.45 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 10.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.768 ' CD1' HD11 ' A' ' 47' ' ' LEU . 20.9 mm -111.89 90.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -112.82 99.76 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 10.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -99.43 152.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -133.84 108.9 8.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -35.15 140.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 10.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 69' ' ' ASP . 9.5 t -103.12 -155.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.48 39.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -85.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -104.05 -157.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 10.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.736 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -40.31 -71.61 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 10.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.633 HD23 HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -156.29 148.57 23.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 10.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' OG ' ' A' ' 63' ' ' SER . 20.3 p-10 -139.32 48.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.2 pp -82.22 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' HD2' HG13 ' A' ' 138' ' ' VAL . 5.5 m170 -126.11 80.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 10.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 2.3 pp -109.91 95.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.486 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 8.0 p -125.8 90.42 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 10.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -63.27 90.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 133' ' ' ASP . 0.1 OUTLIER -132.5 134.95 45.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 10.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HB2' ' N ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 168.98 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.657 HD23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -142.76 -95.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 10.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER 158.65 -56.14 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 10.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 9.44 2.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 10.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 1.012 ' O ' HD21 ' A' ' 83' ' ' LEU . . . 67.49 -65.3 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.654 ' N ' HG22 ' A' ' 130' ' ' VAL . . . 59.13 175.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.4 m -83.88 105.45 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -106.72 91.49 3.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 10.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.85 156.25 4.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 10.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 1.4 t80 178.16 104.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.56 146.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 10.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -59.95 92.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -137.32 152.2 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 110.956 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.35 129.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 10.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -92.76 97.38 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 126.6 170.91 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p -97.3 142.91 28.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 10.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -47.17 -48.71 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -64.54 164.79 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 61.17 82.83 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.769 . . . . 10.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p30 176.87 95.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 10.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.32 100.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 10.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.05 126.15 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 10.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.4 p -135.85 161.82 34.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.93 -58.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.25 128.99 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.32 -81.84 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.29 10.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 7.3 t0 81.67 159.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 10.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 156.55 43.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 177.96 7.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 10.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 34.7 m-20 -95.18 59.12 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -122.49 58.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 130' ' ' VAL . 2.5 mm-40 -93.64 64.77 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 80' ' ' GLY . 37.3 t 58.04 157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.28 -103.59 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 10.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.695 ' HB3' ' CG ' ' A' ' 135' ' ' LYS . . . -91.57 32.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 3.9 m-20 86.82 35.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 10.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.489 ' HA3' ' CD1' ' A' ' 83' ' ' LEU . . . 81.08 53.77 3.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.695 ' CG ' ' HB3' ' A' ' 132' ' ' ALA . 53.6 mttt -90.96 93.43 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 10.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.678 HG11 ' HB3' ' A' ' 128' ' ' LEU . 1.5 m -136.29 84.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 10.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.701 ' C ' HG23 ' A' ' 138' ' ' VAL . 2.8 p-10 -134.7 175.94 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.834 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER 60.19 154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.834 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -128.45 -167.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 10.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.2 mtt -149.8 19.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.6 m-20 156.23 146.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.736 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -153.9 149.74 21.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.43 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 10.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.9 t0 176.32 64.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.58 ' OG1' HD12 ' A' ' 68' ' ' LEU . 25.3 p -105.65 51.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 10.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -60.81 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 147' ' ' LEU . 3.0 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 10.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 1.026 ' HB2' HD11 ' A' ' 156' ' ' LEU . 1.3 pp -76.28 56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 154' ' ' ASN . 13.5 t-20 -107.11 22.6 15.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -22.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -90.32 -136.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.623 ' N ' HD23 ' A' ' 156' ' ' LEU . 52.8 t0 -84.76 58.44 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 64.61 -75.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.2 m-20 -137.57 40.98 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.72 24.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 10.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -92.8 -173.4 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 10.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.95 110.48 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 26.2 m-85 -150.09 80.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 186' ' ' CYS . 5.4 pt -84.18 122.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.784 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.6 mp -98.78 135.28 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -176.93 175.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.21 17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 10.0 110.247 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 0.6 OUTLIER -83.1 175.48 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 10.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -113.48 129.06 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 6.4 t70 -43.33 -72.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 170' ' ' ASP . 2.2 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 10.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 168' ' ' GLN . 2.7 t30 -179.51 116.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 41.9 t -106.5 15.18 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 10.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 82.65 116.06 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 174.9 145.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 10.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 1.6 ptm180 -39.07 106.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 10.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 185' ' ' VAL . 1.9 pp -136.49 -49.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.834 HG11 ' CG ' ' A' ' 49' ' ' ASN . 13.9 p -112.58 152.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.845 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -156.05 153.94 30.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 10.0 108.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.779 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -109.49 -91.82 2.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 10.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 55.28 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.3 mt 53.62 81.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.59 170.46 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 10.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.96 152.34 43.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 p80 173.15 -177.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 10.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 72.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.531 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 187' ' ' GLY . 96.2 t -126.31 76.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.427 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -93.56 118.43 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -90.19 73.74 7.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.7 p -99.86 103.19 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 10.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.764 ' CG ' HG11 ' A' ' 185' ' ' VAL . 3.2 m-80 -94.99 171.54 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 10.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.93 12.3 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.36 -36.2 74.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.15 -45.88 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -141.87 -104.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 10.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -151.44 170.82 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 83' ' ' LEU . 4.4 m -83.37 -13.29 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.92 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 10.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 1.2 p90 177.66 160.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 10.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 47' ' ' LEU . 14.7 mm -115.02 92.32 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 10.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.39 81.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 10.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.606 HG22 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -88.45 156.55 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -147.13 116.68 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.2 pp20? -38.03 132.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 10.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.495 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 60.4 p -97.59 -165.55 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 10.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -166.76 61.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.15 -71.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 10.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 mp0 -123.78 -168.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 10.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.01 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 10.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.06 HD13 HD13 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -127.71 149.85 50.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 10.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 1.5 m-20 -154.86 39.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.94 ' CD1' HG23 ' A' ' 72' ' ' ILE . 2.6 pp -83.38 179.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.404 ' HA ' HG12 ' A' ' 138' ' ' VAL . 1.7 t-160 -113.42 108.87 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.572 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' CD1' ' A' ' 70' ' ' ILE . 2.3 pp -129.56 119.42 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.619 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -155.3 100.45 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 10.0 109.998 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -171.29 113.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' CA ' ' HB ' ' A' ' 55' ' ' VAL . 27.5 m-20 -137.3 -173.11 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.852 ' O ' HG13 ' A' ' 130' ' ' VAL . 2.3 m -64.94 113.15 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 10.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -94.71 37.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 173.57 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 10.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.03 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.591 ' HA2' HG21 ' A' ' 130' ' ' VAL . . . -65.82 55.73 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 10.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 169' ' ' ALA . . . -112.75 -179.65 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.2 m -79.39 121.58 25.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 10.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 76' ' ' SER . 3.2 mm? -85.25 72.01 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -27.45 97.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER -117.75 95.93 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 10.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.13 141.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.46 112.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -110.24 121.53 45.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.39 176.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -116.31 148.79 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.1 87.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -120.8 -172.7 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.048 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB2' HD21 ' A' ' 189' ' ' LEU . 1.1 m 68.92 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' SER . 17.5 m -102.09 49.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.7 mmt-85 -149.78 87.15 5.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 10.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.91 169.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 10.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -175.77 77.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 19.67 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 10.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.81 177.34 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.69 80.82 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.44 -147.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 10.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.06 151.35 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -77.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 10.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 10.0 110.968 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -131.69 120.09 22.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 0.766 . . . . 10.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.2 pp -109.83 112.69 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.5 Cg_endo -74.94 165.59 31.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 10.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -74.05 90.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -172.67 60.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 130' ' ' VAL . 1.2 pt-20 -93.18 54.41 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 76' ' ' SER . 1.9 t 36.11 -156.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.748 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 79.73 -9.34 44.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 10.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 135' ' ' LYS . . . -132.24 6.95 4.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 10.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 6.2 p-10 39.53 61.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 10.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 75' ' ' ASN . . . 105.15 69.87 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 10.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -139.59 175.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.329 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.555 ' O ' ' C ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 173.01 173.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.555 ' C ' ' O ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -27.13 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 1.06 HD13 HD13 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -84.88 -146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.468 ' H ' HG22 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -149.92 -176.22 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.994 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' MET . 42.5 t-20 -40.6 118.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.591 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -108.24 141.42 23.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 145' ' ' THR . 18.3 Cg_endo -74.98 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.555 1.818 . . . . 10.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 143' ' ' PRO . 6.4 t70 31.18 49.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 155' ' ' ILE . 0.8 OUTLIER -132.14 38.13 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 10.0 110.38 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -71.1 132.8 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 10.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.676 HD11 ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -82.58 -79.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.3 t-20 80.5 32.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.893 HG23 HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -138.3 -43.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -100.84 -154.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.0 OUTLIER -83.38 118.51 23.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 10.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.576 ' C ' ' O ' ' A' ' 157' ' ' ASP . 27.9 mt-10 -22.67 -55.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 157' ' ' ASP . 97.5 m-20 -127.74 53.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 10.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 157' ' ' ASP . . . -169.55 130.51 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 10.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 190' ' ' LEU . 0.0 OUTLIER 172.07 103.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 10.0 109.972 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.618 ' HB3' ' N ' ' A' ' 188' ' ' ALA . . . -158.17 176.12 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 85' ' ' PHE . 22.1 m-85 -93.17 109.56 21.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.512 HG22 ' HB2' ' A' ' 186' ' ' CYS . 1.0 OUTLIER -87.49 117.22 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.597 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -102.38 124.22 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 0.3 OUTLIER -179.58 176.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.62 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 78.21 -7.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 4.8 mt-30 -143.76 176.18 9.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 10.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.912 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . . . 66.26 93.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.64 111.04 21.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 109.32 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.6 ' O ' HG21 ' A' ' 184' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 10.0 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 34.7 t-20 -126.87 -43.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 10.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 31.1 t -91.54 32.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.613 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -145.66 89.08 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 10.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 78.15 169.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.508 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -71.06 134.89 47.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.827 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -131.36 -47.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.764 HG11 ' CG ' ' A' ' 49' ' ' ASN . 4.3 p -102.76 129.03 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.512 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.04 147.3 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 10.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.82 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -145.54 16.73 1.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.978 ' C ' HD22 ' A' ' 189' ' ' LEU . . . -69.53 61.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 10.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.978 HD22 ' C ' ' A' ' 188' ' ' ALA . 2.9 mm? -140.28 58.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 10.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 45' ' ' VAL . 67.2 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -102.56 44.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 59' ' ' GLU . . . -59.79 128.9 47.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -50.5 175.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 10.0 109.559 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 189' ' ' LEU . 15.7 t60 -96.57 60.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 10.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.05 105.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -108.75 131.3 55.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.909 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.04 99.0 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.81 ' O ' HG12 ' A' ' 185' ' ' VAL . 2.5 p -109.83 136.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.644 ' OD1' HG11 ' A' ' 185' ' ' VAL . 15.9 m-80 -89.98 128.48 36.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 10.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CB ' ' OD1' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -38.93 -34.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -107.37 -58.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.08 -47.85 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.9 tttm 91.92 8.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.752 ' HB2' ' CB ' ' A' ' 48' ' ' VAL . . . 84.97 133.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 15.3 m -145.04 18.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.567 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -142.92 -152.48 5.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 162.23 169.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 10.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 72' ' ' ILE . 21.8 mm -107.85 107.05 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE2' ' CE1' ' A' ' 57' ' ' PHE . 6.5 mt-10 -121.47 79.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 10.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.748 HG22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -83.94 165.78 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 10.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.665 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -148.58 62.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -9.82 109.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -95.2 -169.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 10.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -139.85 80.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.18 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 10.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -127.01 -172.29 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 10.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.673 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -44.35 -45.15 8.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 10.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -141.02 145.88 36.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.517 ' CA ' HG22 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -157.43 28.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.029 HD13 HG23 ' A' ' 72' ' ' ILE . 1.4 pp -84.57 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.496 ' N ' HD12 ' A' ' 70' ' ' ILE . 2.1 t-160 -130.84 96.61 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.029 HG23 HD13 ' A' ' 70' ' ' ILE . 2.6 pp -123.31 125.91 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -156.35 142.39 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 10.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -105.31 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 11.0 t30 -97.5 -147.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 ' HB1' ' A' ' 74' ' ' ALA . 5.9 mp -45.21 -87.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.857 ' O ' HG11 ' A' ' 130' ' ' VAL . 5.2 mmp_? -113.32 157.25 41.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 10.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.26 41.03 60.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 10.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.88 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -82.77 177.73 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 1.5 m -135.6 119.81 17.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 10.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.92 79.14 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.5 -169.28 42.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 10.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.21 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.61 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.628 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.2 mm -40.79 103.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -119.7 139.06 52.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 pt-20 -105.22 59.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.68 57.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.91 109.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -91.72 139.68 30.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 10.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.404 ' C ' HG23 ' A' ' 94' ' ' VAL . 1.7 t 65.86 88.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 95' ' ' ARG . 2.0 t 61.09 -178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 85.6 mmt-85 43.88 83.19 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 10.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 111.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 10.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.27 30.45 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.49 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m 177.14 102.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.57 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.6 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.13 -84.56 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 10.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.54 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 108.79 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.31 41.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 10.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -84.82 66.2 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 10.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.874 ' HB3' HG12 ' A' ' 136' ' ' VAL . 21.2 mt -141.92 59.67 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.07 74.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.88 HG21 ' HB3' ' A' ' 81' ' ' ALA . 2.0 t 49.66 -143.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.561 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 77.02 -59.29 3.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 10.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.07 -68.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ALA . 3.2 m-20 176.8 33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 48.93 28.6 7.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 10.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -82.74 84.24 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 10.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.874 HG12 ' HB3' ' A' ' 128' ' ' LEU . 8.6 m -93.39 167.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.4 p-10 -165.88 110.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 138' ' ' VAL . 5.7 m -108.77 106.33 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.569 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -152.76 47.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.769 ' O ' HD21 ' A' ' 68' ' ' LEU . 3.8 mtt -84.4 124.98 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 10.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 140' ' ' MET . 23.0 t-20 -36.32 98.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.616 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -107.48 161.38 23.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 10.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.55 68.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.687 ' O ' ' CB ' ' A' ' 146' ' ' SER . 2.1 p -115.01 55.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.687 ' CB ' ' O ' ' A' ' 145' ' ' THR . 7.8 t 103.49 175.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 10.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.743 HD22 ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -76.27 56.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 154' ' ' ASN . 6.8 p-10 -79.61 7.53 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.6 pt -85.69 23.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.988 ' O ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -80.96 103.7 10.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 10.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.53 -92.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.0 -68.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.17 20.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.12 -131.19 3.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 10.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.5 p 172.66 138.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 10.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -154.42 176.87 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -112.26 135.83 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.94 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -104.53 114.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 185' ' ' VAL . 3.8 mp -90.58 118.69 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.773 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -174.77 178.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 109.575 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.7 OUTLIER 78.67 2.76 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 10.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 1.1 pt20 -84.08 176.89 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 171' ' ' ASP . . . -76.24 -30.21 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 179' ' ' ASN . 17.3 m-20 57.24 -89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 169' ' ' ALA . 59.1 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.665 ' HB3' HG21 ' A' ' 184' ' ' ILE . 2.3 m-20 -135.23 -142.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.743 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER 86.92 38.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 150.09 139.82 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 10.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.31 158.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 10.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -38.65 136.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.711 HD12 HG22 ' A' ' 185' ' ' VAL . 1.3 pp -139.58 -61.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 48' ' ' VAL . 4.3 m -126.25 104.54 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 10.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.43 137.12 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 108.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -98.64 -49.48 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 10.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.824 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 60.19 154.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 10.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 189' ' ' LEU . 11.8 mt 58.64 92.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 190' ' ' LEU . 4.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.07 108.29 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.03 171.15 44.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.88 -66.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 10.0 109.634 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 73.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 187' ' ' GLY . 1.4 p -116.67 110.19 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.16 98.68 8.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 10.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -83.66 87.33 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 53' ' ' LYS . 5.2 t -115.0 140.74 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' OD1' ' CD1' ' A' ' 83' ' ' LEU . 2.8 m-80 -97.46 -12.78 22.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.607 ' H ' HG12 ' A' ' 48' ' ' VAL . 2.3 ttt-85 82.09 21.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 10.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -115.91 -97.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 10.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.6 -67.96 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 10.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.7 tptt -174.28 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 10.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 170.63 159.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 77' ' ' LEU . 22.5 m -85.07 -35.23 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . 159.75 -118.99 0.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 10.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 26.2 t80 178.55 164.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 10.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.085 HG23 HD12 ' A' ' 72' ' ' ILE . 6.0 mm -94.02 77.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 92.26 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.913 HG23 HG21 ' A' ' 70' ' ' ILE . 7.3 mt -90.31 129.84 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 10.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -116.73 66.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 10.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -21.98 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -110.55 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.994 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.15 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -138.01 -85.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' GLY . 9.3 mt-10 -150.97 147.44 27.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.799 ' C ' HD23 ' A' ' 68' ' ' LEU . . . 34.19 -108.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 10.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -141.18 106.72 5.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 0.761 . . . . 10.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.606 ' HA ' HG23 ' A' ' 139' ' ' ILE . 14.9 p-10 -106.39 41.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.913 HG21 HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -98.29 178.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 137' ' ' ASP . 0.3 OUTLIER -109.86 85.41 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 10.0 109.594 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.085 HD12 HG23 ' A' ' 58' ' ' ILE . 11.0 mm -87.42 76.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.704 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 1.5 p -116.04 157.53 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 161.9 70.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.509 ' N ' ' HB ' ' A' ' 55' ' ' VAL . 26.2 m-20 -161.4 -25.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.2 OUTLIER -70.35 63.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 10.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 55' ' ' VAL . 1.9 mt -59.14 -66.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.584 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -179.83 -59.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.671 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.02 -159.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.15 37.17 3.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 10.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 170' ' ' ASP . . . -80.39 177.17 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -91.04 122.16 33.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 10.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 mm? -121.64 70.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.63 127.4 42.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 10.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -165.83 156.24 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 0.1 OUTLIER 165.17 175.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.7 mm -115.11 106.25 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -149.56 169.07 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.72 111.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 10.0 110.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.525 ' NZ ' ' H ' ' A' ' 102' ' ' GLY . 5.0 tptp -150.72 -141.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.19 -171.56 31.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 10.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.468 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 7.2 t -93.11 130.93 38.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 10.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' C ' HG22 ' A' ' 94' ' ' VAL . 89.0 m -49.77 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 93' ' ' CYS . 5.0 m 41.25 55.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 45.97 95.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.07 -49.66 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 10.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 162.11 -60.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' ' NH2' ' A' ' 183' ' ' ARG . 22.7 t80 -176.07 -49.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 10.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.65 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.5 p -166.99 177.44 6.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 105' ' ' PHE . . . 56.0 102.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.525 ' H ' ' NZ ' ' A' ' 90' ' ' LYS . . . -85.1 -99.98 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 10.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.15 -58.23 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.67 14.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.773 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.44 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 10.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.825 . . . . 10.0 111.036 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.3 m-20 61.47 137.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER -93.68 158.53 36.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 10.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.604 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.5 Cg_endo -74.95 157.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 10.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -80.73 58.55 3.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD13 ' HE1' ' A' ' 85' ' ' PHE . 29.4 mt -119.85 78.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 10.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 2.1 pt-20 -113.97 78.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.8 t 40.01 -148.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 10.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.753 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 62.83 31.33 79.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.123 . . . . 10.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 93.88 -21.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.35 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 63.3 m-20 -50.49 -25.55 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.473 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -74.44 -28.36 63.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 10.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 132' ' ' ALA . 16.5 mmtt -82.18 58.08 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 1.3 t -114.83 164.02 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 10.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.913 ' HB2' HD11 ' A' ' 139' ' ' ILE . 2.9 p30 -141.99 138.25 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 1.008 ' O ' HD13 ' A' ' 139' ' ' ILE . 26.5 m -77.63 99.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -144.78 123.15 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 7.3 mtt -155.0 22.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.3 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.63 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -83.75 157.89 63.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 -41.61 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 143' ' ' PRO . 5.8 m-20 168.89 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 146' ' ' SER . 26.7 p -117.39 60.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.762 ' HB3' HD22 ' A' ' 68' ' ' LEU . 43.6 t 177.26 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 10.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 153' ' ' LEU . 11.2 mttt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 146' ' ' SER . 0.7 OUTLIER -39.86 -62.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 22.0 t-20 67.84 24.07 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.62 HG21 ' HA ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -114.38 -11.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.532 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -127.02 -168.03 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 10.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -155.42 168.95 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 10.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' ASP . 3.7 mt-10 36.48 -116.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -84.57 57.86 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 42.01 -101.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 10.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.983 ' O ' HD23 ' A' ' 190' ' ' LEU . 2.3 p 153.91 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 10.0 110.01 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.819 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.36 175.82 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 86' ' ' HIS . 3.2 m-85 -107.22 176.75 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.823 HG23 ' CB ' ' A' ' 186' ' ' CYS . 3.2 mp -136.63 130.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -85.74 101.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.893 ' HA ' HD11 ' A' ' 184' ' ' ILE . 2.9 p-80 -154.32 176.08 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 18.0 mt-10 84.35 -28.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 7.9 mm-40 -133.3 167.13 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 10.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 180' ' ' SER . . . -177.51 -167.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 0.1 OUTLIER 162.56 98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 10.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 180' ' ' SER . 7.3 t30 39.23 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 10.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.632 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.5 p 155.66 67.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 10.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 175.36 38.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 10.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 49.36 175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 10.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.536 ' NH2' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER 66.42 61.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -114.01 -89.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -150.03 148.43 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.823 ' CB ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -136.17 168.45 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 108.241 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 45' ' ' VAL . . . -102.42 -74.69 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.819 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 69.98 148.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 10.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.5 mt 62.69 98.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 161' ' ' SER . 3.3 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -56.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 44' ' ' HIS . . . 147.99 -143.12 10.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 10.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLY . 2.5 m170 36.65 77.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 10.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 42' ' ' GLY . 1.8 p-80 -148.7 158.04 43.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 10.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.895 HG11 ' HA2' ' A' ' 187' ' ' GLY . 74.1 t -109.33 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.22 117.03 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 58' ' ' ILE . 5.8 mt -84.44 98.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.8 t -86.25 145.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.546 ' OD1' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -84.76 13.65 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.958 ' HB2' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER 66.69 -60.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 10.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mm-40 -80.36 -82.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -43.02 -69.63 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 10.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.91 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 ttmt 157.93 -43.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 10.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 162.53 147.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 77' ' ' LEU . 12.4 m -115.48 -18.16 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -148.45 -140.59 3.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 10.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 170.01 173.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.075 HG23 HG22 ' A' ' 72' ' ' ILE . 16.8 mm -93.89 141.22 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.92 117.92 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.916 ' HB ' HG22 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -99.12 120.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -160.07 62.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 10.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -38.68 157.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 10.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.63 -158.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 10.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.23 59.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.52 -81.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 10.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -134.61 152.68 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.86 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 10.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 68' ' ' LEU . 3.6 mp -82.97 88.67 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.693 ' C ' HD11 ' A' ' 147' ' ' LEU . 2.4 t70 -120.16 -170.22 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 10.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.946 HG23 HD13 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -82.89 171.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' OD2' ' A' ' 137' ' ' ASP . 7.9 t-80 -109.92 65.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.075 HG22 HG23 ' A' ' 58' ' ' ILE . 6.4 pt -87.15 124.48 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -155.02 71.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -40.54 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.6 t30 -84.81 -163.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.793 ' HA ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -110.91 96.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 110.061 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.776 ' HA ' HG11 ' A' ' 55' ' ' VAL . 6.9 mp -45.74 -79.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.522 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.25 -55.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 41.21 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 10.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 27.51 43.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' N ' ' A' ' 169' ' ' ALA . . . -74.4 175.56 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 10.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.494 ' C ' HD13 ' A' ' 83' ' ' LEU . 33.1 m -102.2 127.64 49.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.916 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -115.83 61.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.365 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 98.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.416 1.072 . . . . 10.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.781 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.1 p90 -146.67 112.72 5.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.686 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 1.5 t-160 160.03 98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.619 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 156' ' ' LEU . 0.7 OUTLIER 68.8 164.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 10.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -85.97 168.02 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 10.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.1 tt0 -133.27 -54.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -154.18 59.03 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.21 166.69 3.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 10.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.962 ' HB2' ' HB3' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -91.44 156.78 17.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 10.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 31.9 p -47.58 105.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 94' ' ' VAL . 37.2 t -134.0 81.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 60.32 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.78 . . . . 10.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -141.73 140.93 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 10.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 52.95 91.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 10.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.03 114.82 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 10.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.1 p -98.95 167.14 10.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 10.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.07 57.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 10.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.79 144.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 10.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.72 146.13 31.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 80.78 2.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 10.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.9 p30 -175.0 74.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -114.1 97.12 44.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.08 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 10.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -95.49 74.02 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.55 59.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 10.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -97.07 59.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 10.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 76' ' ' SER . 1.9 t 38.33 -142.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 10.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.509 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.79 -55.62 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 10.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -83.49 -63.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 10.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 158.62 40.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 37.4 29.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 10.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -83.68 70.33 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 10.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -122.54 93.03 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 10.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.579 ' OD2' ' CD2' ' A' ' 71' ' ' HIS . 9.3 p30 -113.44 112.29 23.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 138' ' ' VAL . 6.5 m -86.55 117.25 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.437 HD13 ' C ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -146.67 20.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 10.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 8.4 ptp -150.4 -169.68 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 45.02 29.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.541 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -121.75 152.9 59.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -175.09 75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.541 HG23 ' HB1' ' A' ' 142' ' ' ALA . 2.3 p -91.92 64.67 4.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 p -91.57 112.92 25.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 10.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.946 HD13 HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.3 pp -77.69 55.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.29 8.51 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.433 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -103.09 -16.73 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.776 ' H ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -121.24 -163.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 4.7 t70 -103.2 126.25 50.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.5 OUTLIER -35.43 -56.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.91 48.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -173.03 106.41 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 10.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -129.75 7.75 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 187' ' ' GLY . . . -143.06 174.55 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 10.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.686 ' CE2' ' O ' ' A' ' 86' ' ' HIS . 3.0 m-85 -97.77 178.41 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.567 HG23 ' ND1' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -91.82 132.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -104.03 69.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.67 ' CD2' ' O ' ' A' ' 185' ' ' VAL . 10.3 m170 -131.3 178.07 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 10.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER 78.46 -24.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 10.0 110.343 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.767 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 4.1 mt-30 -139.52 177.07 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 10.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 91.98 134.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -139.51 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.412 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.004 -0.839 . . . . 10.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 180' ' ' SER . 13.3 t30 -71.38 -143.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.426 ' H ' ' ND2' ' A' ' 179' ' ' ASN . 4.0 p 77.96 47.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.5 46.33 1.19 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 10.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 57.51 163.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 10.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.23 77.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 110.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 1.064 HG22 HG12 ' A' ' 185' ' ' VAL . 3.3 mp -124.25 -105.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 10.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 1.064 HG12 HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -110.76 146.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 134.16 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.895 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -132.72 111.27 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 10.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 92' ' ' SER . . . -170.97 60.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 10.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 31.6 mt -148.39 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 161' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HB1' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 61' ' ' LYS . 2.0 m-85 -68.9 77.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 52.81 106.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 10.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 20.0 p80 -175.52 168.6 3.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 10.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.17 68.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 10.0 109.548 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 47' ' ' LEU . 35.8 t -139.64 89.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 10.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.527 ' C ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -103.17 120.74 41.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 10.0 110.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.876 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -112.95 96.25 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 53' ' ' LYS . 26.7 t -123.86 115.35 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.685 HD22 HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -103.81 176.6 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 179' ' ' ASN . 11.1 mtt180 -91.2 53.78 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CG ' ' OD1' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -138.48 -91.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.62 -74.52 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 10.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 48' ' ' VAL . 8.7 tptt -177.47 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 10.0 109.321 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -170.36 148.81 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 78' ' ' ARG . 27.5 m -106.13 17.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.777 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 153.89 -146.88 15.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.11 . . . . 10.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.2 OUTLIER 157.27 176.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 10.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.643 HG23 ' CD1' ' A' ' 72' ' ' ILE . 19.2 mm -115.84 116.39 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -151.35 58.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 10.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.959 HG21 ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -87.28 177.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -122.99 58.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.824 ' HB3' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -38.09 109.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 10.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -53.61 -97.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 174.8 62.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 -83.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 68' ' ' LEU . 12.9 mt-10 -129.14 -159.97 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -49.91 88.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.142 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 66' ' ' GLU . 1.2 mm? -116.56 107.18 14.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.959 ' HB3' HG21 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -156.12 84.45 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 10.0 109.238 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.009 ' O ' HD12 ' A' ' 70' ' ' ILE . 1.6 pp -97.5 59.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.655 ' C ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER 178.23 52.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 10.0 109.589 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 72' ' ' ILE . 40.0 mm -102.56 59.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -80.02 69.4 6.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 10.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.38 84.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 15.1 m120 -153.55 -42.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 10.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.624 ' CB ' HD23 ' A' ' 83' ' ' LEU . 60.8 p 173.16 80.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 10.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.835 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -88.54 -28.47 20.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 10.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.762 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.83 152.07 7.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 10.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.02 135.07 18.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 10.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.01 70.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 171' ' ' ASP . . . -144.17 166.17 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 1.047 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.0 m -110.47 127.54 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.047 HD13 ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -140.22 97.16 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.39 148.21 26.12 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 10.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.498 ' C ' ' CG ' ' A' ' 86' ' ' HIS . 7.3 t80 -162.47 123.26 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 10.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CG ' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 165.17 117.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 10.0 109.628 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mm -50.72 101.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.98 174.07 15.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 10.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.93 -176.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -111.68 92.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 57.58 116.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 10.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.626 ' OG ' HG22 ' A' ' 164' ' ' ILE . 1.7 t -89.06 122.98 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.633 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 71.5 m 66.24 155.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 10.0 108.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' CYS . 55.7 t 61.49 122.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.254 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 60.73 108.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.46 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER 65.24 173.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -169.29 89.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.42 -63.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 t -173.7 78.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 10.0 109.935 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 87.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.5 -150.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 10.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.85 -119.07 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.59 5.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 10.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 10.0 111.013 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.52 148.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.62 HD11 ' OE1' ' A' ' 129' ' ' GLU . 2.1 pp -89.57 156.84 47.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.559 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 169.58 22.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 10.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -74.73 63.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.43 HD13 ' ND2' ' A' ' 75' ' ' ASN . 40.6 mt -138.72 68.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.716 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.6 OUTLIER -157.45 74.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.813 HG13 ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -179.48 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 11.88 -120.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -97.55 17.24 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 10.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.813 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -59.07 -16.42 18.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -99.07 0.29 57.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 10.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 132' ' ' ALA . 2.2 mttt -84.56 89.45 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.497 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -115.45 124.09 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 138' ' ' VAL . 9.1 p-10 -121.05 68.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 137' ' ' ASP . 27.0 m -157.82 167.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -149.17 169.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -155.97 112.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 140' ' ' MET . 13.7 t-20 53.79 103.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.969 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -155.91 133.03 6.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 10.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.99 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 10.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 147' ' ' LEU . 4.1 m-20 -174.68 72.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.969 HG23 ' HB1' ' A' ' 142' ' ' ALA . 41.9 p -57.06 85.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 10.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' ASP . 0.3 OUTLIER 60.82 12.76 3.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 10.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' A' ' 62' ' ' GLU . 9.1 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 153' ' ' LEU . 7.1 mtmm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 1.062 HD12 HD21 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -35.35 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 7.6 t-20 83.07 29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.749 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -97.57 -15.27 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -83.85 -169.0 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.55 43.44 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.32 4.86 4.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.74 -34.15 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 69.05 142.73 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 10.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.53 137.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 10.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.474 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -125.65 170.1 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 10.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 1.161 ' CE2' HD11 ' A' ' 165' ' ' ILE . 1.7 p90 -87.56 125.77 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 10.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.819 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -108.22 134.25 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.161 HD11 ' CE2' ' A' ' 163' ' ' PHE . 2.1 mp -111.54 176.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 10.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.695 ' H ' HG22 ' A' ' 165' ' ' ILE . 2.8 t-80 94.79 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 180' ' ' SER . 1.4 tt0 60.41 4.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 166' ' ' HIS . 50.1 mm-40 -92.92 175.56 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . -110.86 150.53 29.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.8 t0 83.86 115.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.463 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.456 ' CB ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 m-80 -113.32 57.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLU . 87.5 p -119.8 81.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.513 ' H ' ' CE1' ' A' ' 166' ' ' HIS . . . -98.04 -86.54 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -179.29 111.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 10.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER 32.33 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 182' ' ' ALA . 1.0 OUTLIER -116.85 -59.9 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.4 p -90.49 107.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.413 ' SG ' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -150.91 140.85 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 10.0 108.258 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -85.21 -39.27 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 10.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 67.36 119.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.8 OUTLIER -155.46 59.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 10.0 109.339 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -47.19 -55.63 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 10.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.63 -128.92 1.03 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 10.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.41 ' C ' ' CG ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -56.2 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 10.0 109.596 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 171.41 159.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 10.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 188' ' ' ALA . 14.2 m -83.73 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -55.28 140.22 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 10.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.11 71.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 10.0 109.274 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 53' ' ' LYS . 1.4 t -81.49 127.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 10.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.696 HD21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.08 153.19 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.54 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HG3' ' CA ' ' A' ' 178' ' ' GLY . 2.8 mm-40 -110.18 -53.41 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 10.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.594 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -35.27 -40.62 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.912 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 87.71 -29.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.632 ' O ' HD21 ' A' ' 77' ' ' LEU . . . 169.11 146.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.76 HG12 ' HG ' ' A' ' 77' ' ' LEU . 20.6 m -112.85 9.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 10.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.777 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 140.98 -119.27 1.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 10.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.43 157.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 10.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.683 HG23 ' HB ' ' A' ' 72' ' ' ILE . 13.8 mm -109.25 92.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 79.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.867 HG22 HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -84.78 141.82 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -117.03 59.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 10.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.2 mm-40 -2.7 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 p -83.22 175.88 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.54 75.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.54 -80.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.1 tt0 -155.5 160.16 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.963 ' O ' HD23 ' A' ' 68' ' ' LEU . . . 39.85 -97.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 10.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -149.19 159.8 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.86 ' HA ' HG23 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -157.71 28.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 10.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -87.62 177.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -122.16 73.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -94.41 112.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.722 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -157.47 164.9 36.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 110.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.777 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . 86.2 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 25.2 m-20 -128.83 -22.66 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 83' ' ' LEU . 4.8 t -109.34 123.76 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.76 ' HG ' HG12 ' A' ' 55' ' ' VAL . 3.7 mt -53.47 -48.68 68.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.3 mtp180 156.53 -46.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.02 125.28 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 10.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . -24.91 93.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 10.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' O ' ' CA ' ' A' ' 129' ' ' GLU . . . -113.79 169.17 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.763 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 1.6 m -118.81 96.12 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 10.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.682 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -105.77 100.62 10.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 10.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.31 53.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 10.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 p90 -135.96 126.65 27.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 10.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 165.73 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.514 ' HA ' HD13 ' A' ' 87' ' ' ILE . 5.9 mm -39.55 155.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.67 171.55 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -108.63 -63.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -137.58 147.42 45.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 60.2 127.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 10.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 189' ' ' LEU . 1.7 m -102.27 46.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 10.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.6 m 65.07 63.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 108.346 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.5 t -127.97 128.5 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 66.85 89.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.41 2.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 10.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 -64.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -161.42 73.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.0 74.36 3.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 10.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -100.36 76.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 109.932 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.54 -68.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.44 96.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 10.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.35 115.67 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 105' ' ' PHE . 18.2 Cg_endo -75.0 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 104' ' ' PRO . 2.7 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 10.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 78.47 175.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 10.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.55 108.59 48.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.367 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 124' ' ' ASP . 18.1 Cg_endo -75.05 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 10.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.4 ' O ' HD12 ' A' ' 128' ' ' LEU . 6.1 m-20 -85.15 169.93 13.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 68.74 63.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.581 ' C ' HG12 ' A' ' 130' ' ' VAL . 2.6 pt-20 -148.79 58.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 10.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.581 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -176.8 165.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.726 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . -56.58 -148.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 10.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 87.35 -11.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER 77.42 38.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.76 93.42 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.57 59.44 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 10.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -118.99 159.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 136' ' ' VAL . 0.6 OUTLIER 172.03 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 10.0 109.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.577 ' O ' HD13 ' A' ' 139' ' ' ILE . 0.8 OUTLIER -136.18 113.24 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.2 mm -113.86 -110.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 10.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.569 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -82.74 -149.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 140' ' ' MET . 11.0 t-20 66.35 29.29 9.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.501 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -131.96 139.34 34.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 10.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 t70 176.11 74.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 10.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.869 ' OG1' HD21 ' A' ' 68' ' ' LEU . 43.7 p -112.93 55.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.79 ' HB2' HD23 ' A' ' 153' ' ' LEU . 5.2 p 86.99 -159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.858 HD12 HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.581 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.21 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -109.85 22.68 15.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 10.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.643 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -113.51 -33.12 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 10.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -86.13 -159.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.79 149.12 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.7 OUTLIER -32.54 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 10.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -86.9 -50.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 190' ' ' LEU . . . 130.87 -87.15 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.1 p 87.01 170.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 10.0 109.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HG11 ' A' ' 45' ' ' VAL . . . -141.5 179.54 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -82.23 167.08 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.545 HG22 ' HB2' ' A' ' 186' ' ' CYS . 3.1 pt -121.65 145.73 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 185' ' ' VAL . 4.8 mp -98.58 98.42 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 182' ' ' ALA . 4.9 p80 -116.29 175.45 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 43.86 26.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.461 ' C ' ' CD ' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -83.96 176.0 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -110.77 168.94 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -77.13 -152.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 10.0 109.334 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.472 ' CA ' ' HG3' ' A' ' 51' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -172.12 119.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 72.4 p -174.36 36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -168.58 118.16 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 166' ' ' HIS . . . -38.98 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER 82.91 60.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.271 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.658 HG12 HG12 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -131.51 -40.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.686 HG22 HD13 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -139.13 125.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.545 ' HB2' HG22 ' A' ' 164' ' ' ILE . 19.7 p -147.98 152.17 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 162' ' ' ALA . . . -129.72 154.43 20.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 10.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.762 ' O ' HG12 ' A' ' 45' ' ' VAL . . . -179.89 176.54 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 10.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 92' ' ' SER . 0.1 OUTLIER 64.52 81.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 160' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -127.6 149.38 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.28 158.25 33.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 10.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.521 ' O ' HG21 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -43.55 152.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 10.0 109.553 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.84 130.59 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.569 ' CG1' ' HB1' ' A' ' 162' ' ' ALA . 2.7 t -137.69 60.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 10.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.84 140.23 57.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.32 111.1 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 185' ' ' VAL . 1.9 t -124.94 100.73 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.713 HD21 HG21 ' A' ' 55' ' ' VAL . 12.1 m-80 -83.02 139.02 33.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.564 ' HB2' HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -72.61 52.67 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 167' ' ' GLU . 10.5 mt-10 -134.4 -71.9 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 10.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.59 -83.77 1.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 10.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.3 tttp -175.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 10.0 109.296 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -146.69 166.85 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG22 HD23 ' A' ' 47' ' ' LEU . 6.3 m -155.1 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 74' ' ' ALA . . . 142.65 -155.72 25.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' C ' HD13 ' A' ' 58' ' ' ILE . 2.3 p90 175.86 175.62 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 43' ' ' HIS . 8.1 mm -103.25 116.81 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 72' ' ' ILE . 49.8 mt-10 -156.09 58.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 72' ' ' ILE . 10.2 pt -84.45 154.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.74 76.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 10.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.609 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -19.47 119.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.162 . . . . 10.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.545 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -102.67 179.72 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 10.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.44 71.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 10.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.97 -73.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -154.58 143.72 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 39.32 -152.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.639 HD13 ' CB ' ' A' ' 145' ' ' THR . 0.9 OUTLIER -87.51 115.86 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 10.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.545 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -115.17 36.24 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 10.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.1 pp -82.39 -179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 85.81 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -135.4 123.72 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -133.75 115.41 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 85' ' ' PHE . . . -66.25 82.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.759 ' HA ' HD11 ' A' ' 77' ' ' LEU . 21.7 p-10 -113.33 -154.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 64.12 55.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.759 HD11 ' HA ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -128.48 -153.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 164.13 -52.64 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 10.0 110.254 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.0 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 10.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 15.82 62.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 10.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.614 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -90.62 157.94 17.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 10.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.73 ' C ' HD13 ' A' ' 83' ' ' LEU . 7.9 m -84.46 114.84 22.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -104.0 83.19 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -32.69 -75.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 48.21 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 10.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 87' ' ' ILE . 4.0 t-160 171.77 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.55 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.613 HD11 HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -51.25 132.55 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 10.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -155.42 148.15 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 10.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' TYR . 7.4 pt-20 -30.67 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 164' ' ' ILE . 13.5 mttt -100.49 118.37 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 162' ' ' ALA . . . -147.22 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -80.48 82.74 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 10.0 109.957 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -42.61 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 108.292 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 94' ' ' VAL . 81.2 t 48.41 73.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 63.01 82.83 0.21 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 10.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 10.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.19 121.01 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 55.16 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.03 138.94 58.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 10.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.79 91.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 10.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.55 -70.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.43 -97.61 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 10.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.47 -146.53 18.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 10.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.989 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -75.55 128.36 35.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -84.43 -58.78 0.36 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.07 173.65 14.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 10.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -107.53 76.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.023 HD22 HG21 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -139.94 61.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 10.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.3 mm-40 -84.25 58.47 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 10.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 35.39 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.419 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.55 -38.14 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 10.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -108.35 11.95 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 10.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 73.53 28.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 10.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 74' ' ' ALA . . . 54.28 50.39 56.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.79 85.64 7.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 10.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 1.023 HG21 HD22 ' A' ' 128' ' ' LEU . 4.9 m -144.95 94.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.865 ' O ' HG22 ' A' ' 138' ' ' VAL . 25.6 p-10 -116.32 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 137' ' ' ASP . 6.3 m 54.04 159.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.528 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.6 147.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -125.12 144.6 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 140' ' ' MET . 7.9 t30 78.83 91.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.434 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -132.44 153.96 81.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 10.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -179.53 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.686 HG22 HD13 ' A' ' 155' ' ' ILE . 17.3 p -84.89 79.25 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.9 104.13 16.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 10.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.61 ' HG3' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.892 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.37 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.792 ' C ' HD13 ' A' ' 156' ' ' LEU . 2.3 t30 -77.1 0.79 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 145' ' ' THR . 4.8 pt -85.62 59.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -119.55 55.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -151.35 76.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.4 tt0 86.51 -36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 10.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -83.96 -41.66 17.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 10.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -60.19 -145.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 10.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.481 ' C ' ' HG ' ' A' ' 189' ' ' LEU . 3.6 m 79.57 163.86 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 10.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.637 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -82.75 176.72 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 87' ' ' ILE . 22.4 m-85 -87.04 146.88 25.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 13.6 mt -93.86 126.99 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 186' ' ' CYS . 0.1 OUTLIER -133.07 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -167.73 149.4 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 10.0 109.582 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 1.028 ' CG ' ' HB3' ' A' ' 182' ' ' ALA . 2.6 pt-20 -68.93 56.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 2.6 mm-40 -84.59 179.49 7.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 81' ' ' ALA . . . 68.03 127.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.53 136.79 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.433 ' HB2' ' ND2' ' A' ' 179' ' ' ASN . 7.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 10.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -163.67 119.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.5 p -179.43 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 10.0 110.069 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -169.08 111.25 0.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 10.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 1.028 ' HB3' ' CG ' ' A' ' 167' ' ' GLU . . . -170.18 114.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.0 OUTLIER -86.99 80.52 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.248 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 50' ' ' ARG . 2.8 pp -130.06 0.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.83 102.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -155.07 137.76 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 108.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -93.93 -142.12 11.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -165.52 104.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 10.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -137.28 99.8 4.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 10.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.692 ' CD1' HD13 ' A' ' 153' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.548 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 23.8 m-85 -148.71 104.06 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 164.98 -124.71 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' HD2' HG21 ' A' ' 58' ' ' ILE . 46.9 m-70 -52.83 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 10.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 74.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.595 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 ' C ' ' A' ' 187' ' ' GLY . 2.2 t -135.34 87.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.17 97.58 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 10.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.46 84.53 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 53' ' ' LYS . 2.4 t -126.32 110.37 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.71 ' ND2' HG11 ' A' ' 55' ' ' VAL . 2.1 m-80 -81.8 162.18 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.44 33.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.37 -85.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.91 -75.73 0.74 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.2 tptt -176.21 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . -149.5 169.15 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' ND2' ' A' ' 49' ' ' ASN . 25.1 m -146.0 10.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 47' ' ' LEU . . . 133.35 171.02 12.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -165.58 175.5 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -120.67 133.26 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 71.5 mt-10 -155.62 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.801 ' CG1' HD21 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -88.5 155.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 10.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.7 54.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 10.0 109.297 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' H ' HD22 ' A' ' 147' ' ' LEU . 14.3 mt-10 -145.13 -120.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 10.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.529 ' C ' HD22 ' A' ' 68' ' ' LEU . 13.2 t 63.43 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER 76.33 -56.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 10.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.0 -45.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 63' ' ' SER . 7.5 pt-20 -124.96 -156.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.923 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -86.63 103.87 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 10.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD22 ' C ' ' A' ' 63' ' ' SER . 1.7 mp -94.0 -113.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -140.79 90.53 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.585 HD12 ' CD1' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -84.51 173.5 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.71 89.11 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.6 pp -138.39 72.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.88 81.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 10.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . . . -60.23 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -82.54 128.54 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 4.5 m -113.94 53.79 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -35.8 -37.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -44.77 127.65 5.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.3 Cg_endo -75.04 133.25 16.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.77 64.69 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.42 1.075 . . . . 10.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 78' ' ' ARG . . . -117.05 176.23 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 10.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.83 ' H ' ' HB2' ' A' ' 169' ' ' ALA . 3.7 m -127.71 116.83 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 1.5 mm? -110.38 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -39.26 160.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 10.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.661 ' CD2' ' CE2' ' A' ' 163' ' ' PHE . 43.7 t80 -169.73 104.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 10.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ILE . 3.0 t-160 -176.2 111.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.2 tp -40.01 147.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 173.61 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 10.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' HB2' ' HZ1' ' A' ' 90' ' ' LYS . 34.9 mm-40 -101.73 50.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HZ1' ' HB2' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -139.45 158.07 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 10.0 109.234 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.2 -127.45 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 10.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.863 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 8.5 t -84.62 64.19 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 10.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 40.28 81.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 10.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.8 161.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 10.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 60.99 150.8 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 16.3 p-10 177.22 128.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER 178.32 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.008 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.7 168.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.81 110.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.94 -69.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.56 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 10.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.62 158.47 15.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 10.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -166.4 155.83 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 10.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.418 ' N ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -151.42 64.32 5.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.04 156.79 42.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 10.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -76.19 58.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.4 mt -151.16 59.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 130' ' ' VAL . 4.6 pt-20 -155.51 62.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -171.07 163.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.503 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.27 42.36 3.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 10.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.604 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -73.42 -59.35 2.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.604 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 6.0 p-10 147.72 -11.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 75' ' ' ASN . . . 80.58 66.46 1.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.475 ' CG ' ' OD1' ' A' ' 133' ' ' ASP . 0.3 OUTLIER -85.95 58.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 10.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.8 t -130.99 90.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.725 ' C ' HG23 ' A' ' 138' ' ' VAL . 8.3 p-10 -158.74 176.35 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER 61.15 138.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.585 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -108.44 166.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 10.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 17.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.0 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.923 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -85.93 124.47 70.66 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 10.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -168.93 65.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 10.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.3 p -71.1 88.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.544 ' O ' ' C ' ' A' ' 147' ' ' LEU . 59.9 p 60.28 -144.11 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.801 HD21 ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 10.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.693 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.1 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.94 HD13 ' CD2' ' A' ' 190' ' ' LEU . 0.2 OUTLIER 9.45 72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 152' ' ' LYS . 34.3 t30 -97.96 50.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 10.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.459 ' O ' HD12 ' A' ' 155' ' ' ILE . 1.5 pp -106.15 -6.26 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.687 HD12 ' H ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -127.67 -76.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.687 ' H ' HD12 ' A' ' 156' ' ' LEU . 4.0 m-20 -146.36 160.71 41.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 10.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -22.32 64.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -45.66 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 147.31 176.55 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.9 p 160.55 149.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 10.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.79 175.38 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.661 ' CE2' ' CD2' ' A' ' 85' ' ' PHE . 15.7 p90 -105.59 166.69 10.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 10.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -116.68 134.36 60.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -102.57 112.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -175.33 174.33 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.553 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.449 ' CA ' ' HA ' ' A' ' 180' ' ' SER . 2.8 mt-10 60.52 12.07 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 10.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -128.32 162.11 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 10.0 110.313 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 76.58 -177.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 178.06 127.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.016 -0.834 . . . . 10.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.99 -45.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 10.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.449 ' HA ' ' CA ' ' A' ' 167' ' ' GLU . 46.1 p -89.78 37.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -126.47 90.13 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 10.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 66.38 174.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 10.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.5 OUTLIER -55.22 122.42 11.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 10.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 182' ' ' ALA . 0.8 OUTLIER -119.03 -55.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 184' ' ' ILE . 3.1 p -134.8 149.71 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 16.6 t -155.89 134.12 11.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.753 ' C ' HG22 ' A' ' 45' ' ' VAL . . . -72.94 -76.0 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.863 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 67.71 137.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 10.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 190' ' ' LEU . 8.6 mt 69.4 100.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.94 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 10.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.46 -40.05 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.38 75.69 0.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.9 m80 53.07 -173.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 10.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -168.88 122.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.4 p -96.82 60.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 45' ' ' VAL . 15.8 pt20 -27.5 133.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.59 102.26 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 53' ' ' LYS . 3.4 t -111.67 135.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -113.66 167.87 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -91.28 26.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.566 ' HB3' HH21 ' A' ' 78' ' ' ARG . 4.3 mm-40 -118.96 -80.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 10.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 -79.93 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 10.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 48' ' ' VAL . 5.6 tptm -176.41 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -159.54 172.12 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.797 ' HB ' HD21 ' A' ' 83' ' ' LEU . 1.8 m -128.16 3.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.776 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 138.32 -117.62 1.47 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 167.55 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 10.0 110.965 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.561 HD13 ' C ' ' A' ' 57' ' ' PHE . 3.0 mm -107.86 97.9 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -156.13 79.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 110.255 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.915 HD13 HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -85.17 161.02 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -93.61 -174.16 3.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 3.3 mt-10 -88.78 115.18 26.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 10.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 87.4 p -83.07 -47.59 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 110.055 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 76.56 34.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -52.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.84 -164.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.26 -92.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.999 HD13 HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -88.83 -167.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 10.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 15.4 t0 -136.44 -146.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.068 ' CD1' HG13 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -101.72 111.46 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 10.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 1.7 m170 158.54 55.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.585 ' CG1' HG23 ' A' ' 60' ' ' ILE . 1.4 pp -153.93 68.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 m -86.69 58.71 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -117.18 91.34 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 1.051 ' O ' HD22 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -116.6 -48.47 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.928 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 10.6 p 159.34 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 110.045 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -46.35 -24.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 10.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.679 HH21 ' HB3' ' A' ' 171' ' ' ASP . 12.8 mtp-105 -79.79 163.32 58.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.0 142.62 28.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 10.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.04 75.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 76' ' ' SER . . . -114.36 176.24 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.523 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 4.3 m -149.68 97.96 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.051 HD22 ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -94.39 113.31 25.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.24 104.21 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -124.25 164.12 20.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 10.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 172.88 71.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 10.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mm 64.8 148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.357 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -152.13 175.51 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.53 71.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 10.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.85 144.96 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 10.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.624 ' OG ' HG13 ' A' ' 94' ' ' VAL . 1.1 p -84.67 133.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.1 65.97 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 188' ' ' ALA . 3.4 m -117.67 -8.93 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 169.39 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 10.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.1 Cg_endo -74.99 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 69.39 -62.22 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.7 OUTLIER 45.78 52.75 9.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 10.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -42.39 136.39 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 10.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 -50.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 10.0 109.939 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.63 -72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.37 147.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.501 1.126 . . . . 10.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 104' ' ' PRO . . . 123.77 136.37 4.71 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 103' ' ' GLY . 18.3 Cg_endo -74.94 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 10.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -161.29 151.21 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 10.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 69.66 15.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.496 ' HB2' HD11 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 169.8 21.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 10.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.52 72.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 10.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.53 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.2 OUTLIER -160.0 64.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 10.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -149.26 69.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.4 OUTLIER -173.1 166.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.79 34.18 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 10.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -58.16 -41.11 83.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.736 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 5.3 m-20 150.3 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.444 ' HA2' ' ND2' ' A' ' 75' ' ' ASN . . . 86.76 44.9 5.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.15 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -111.83 106.59 15.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 10.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.516 ' CG1' ' HB2' ' A' ' 75' ' ' ASN . 3.7 m -151.66 76.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.737 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.4 OUTLIER -95.64 176.31 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 10.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 1.068 HG13 ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 65.25 160.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.999 HG21 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -136.03 153.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.62 109.86 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.9 t30 51.44 96.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 10.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.58 161.04 55.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 145' ' ' THR . 18.1 Cg_endo -75.03 -67.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 10.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -166.07 41.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.894 ' O ' HD23 ' A' ' 147' ' ' LEU . 25.1 p -92.07 69.61 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.69 79.79 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 154' ' ' ASN . 0.1 OUTLIER -94.57 -106.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 14.8 t-20 167.17 -30.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.7 pt -91.33 50.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.7 pp -86.16 101.06 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 173.85 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -38.06 -59.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 -52.04 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.22 -121.7 1.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 10.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 190' ' ' LEU . 12.8 t 172.9 157.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.615 ' HB1' ' N ' ' A' ' 188' ' ' ALA . . . -155.82 154.82 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 10.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.24 106.26 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -84.4 123.62 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.747 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.0 mp -108.47 155.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -174.75 174.72 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.38 3.51 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.643 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -84.35 173.51 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 10.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.87 -164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.679 ' HB3' HH21 ' A' ' 78' ' ' ARG . 5.0 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -109.75 -146.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 10.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 168' ' ' GLN . 48.2 t 178.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.963 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 176.02 -130.82 1.76 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 10.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 56.34 165.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.44 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 10.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 181' ' ' GLY . 1.0 OUTLIER -107.42 -63.8 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.747 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.5 p -96.51 126.47 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.79 137.68 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 10.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.62 ' CA ' HG22 ' A' ' 45' ' ' VAL . . . -52.09 -55.29 22.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 10.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 94' ' ' VAL . . . 67.71 106.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 10.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.9 mt 59.88 120.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 190' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' A' ' 59' ' ' GLU . 2.1 p90 -33.64 -40.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 110.71 -129.23 9.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 10.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . 21.7 m80 -51.58 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 169.51 166.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 10.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG12 ' CD2' ' A' ' 47' ' ' LEU . 3.6 t -88.53 93.62 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -67.21 74.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.626 ' CD2' HG12 ' A' ' 45' ' ' VAL . 7.2 mt -85.39 95.34 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 10.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.008 HG13 ' HB2' ' A' ' 54' ' ' ALA . 23.5 t -116.04 125.75 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.832 ' OD1' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -85.06 115.8 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 4.8 tpt180 37.36 -105.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 10.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 7.1 mt-10 -143.13 6.07 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 10.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -44.95 -48.64 9.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.167 . . . . 10.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 170.87 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 10.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.008 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . 74.64 116.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -126.87 22.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 10.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' HB1' ' A' ' 74' ' ' ALA . . . -118.5 108.69 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -165.47 158.44 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' H ' ' A' ' 45' ' ' VAL . 3.9 mt -124.02 95.73 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.4 mt-10 -119.52 74.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 HG23 ' A' ' 72' ' ' ILE . 1.8 pp -122.98 170.95 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 10.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.777 ' H ' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -144.4 87.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -33.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -86.4 -95.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.71 -32.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 11.9 p-10 -84.14 -136.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -83.95 144.76 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.299 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 147' ' ' LEU . . . 35.82 -151.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 10.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.85 HD22 ' CG1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -154.85 -168.11 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.741 . . . . 10.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.932 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.1 m-20 -139.89 24.32 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 10.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.85 ' CG1' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.38 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 137' ' ' ASP . 14.9 m170 -118.44 78.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.576 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.919 HG23 HG21 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -81.99 99.39 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -156.06 169.2 25.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' HB1' ' HA2' ' A' ' 56' ' ' GLY . . . -165.57 55.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 76' ' ' SER . 9.2 m-80 -158.68 170.14 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 10.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.8 p 93.05 58.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 10.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.853 HD12 HD11 ' A' ' 83' ' ' LEU . 1.6 mt -60.16 -71.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.0 ttm180 158.14 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -75.01 47.66 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 10.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.45 86.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 170' ' ' ASP . . . -127.33 175.09 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 10.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.764 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.4 m -95.45 137.23 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.59 86.71 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.688 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -61.14 139.33 47.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 10.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.69 120.68 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 10.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.3 130.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 10.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.551 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.0 OUTLIER -109.96 79.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -149.0 91.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 10.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE2' ' HB3' ' A' ' 162' ' ' ALA . 1.7 pp20? -176.04 175.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 10.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -136.45 111.22 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 10.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.97 111.44 1.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 10.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . 15.2 p -85.53 156.07 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 10.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.28 131.74 47.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.69 -19.38 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 170.75 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.03 -88.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 10.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 2.5 t70 77.64 97.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 10.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -130.52 -47.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 10.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.74 -40.43 95.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.36 -61.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 10.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 41.42 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.33 -115.73 2.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.69 -149.38 43.22 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -176.98 3.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 10.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.2 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 110.982 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.016 -0.834 . . . . 10.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -168.27 133.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 10.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.31 87.35 7.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 10.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.505 ' O ' HD23 ' A' ' 128' ' ' LEU . 55.1 m-20 -73.02 59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 127' ' ' ASN . 5.2 mt -144.07 69.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.772 ' C ' HG12 ' A' ' 130' ' ' VAL . 6.2 pt-20 -150.86 59.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.772 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 168.91 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 10.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -58.19 151.36 31.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 69.66 -55.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.581 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.4 m-20 -53.29 -21.08 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -102.66 -5.35 48.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 10.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -82.73 80.3 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 10.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.401 ' C ' ' CG ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -106.46 172.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 165.42 112.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.622 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.6 m -83.61 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.932 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.9 mm -115.31 -116.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.56 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -82.16 179.64 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 141' ' ' ASN . 9.0 t30 60.25 22.63 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.27 145.93 46.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 10.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 10.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 168.36 69.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.583 ' N ' HD22 ' A' ' 147' ' ' LEU . 1.6 p -88.65 69.86 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 10.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.65 ' HB2' HD23 ' A' ' 153' ' ' LEU . 1.5 p 91.88 -9.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.846 HD11 ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 33.36 84.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.365 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -89.57 19.2 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 10.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -105.78 -22.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.66 HD22 ' OG ' ' A' ' 161' ' ' SER . 4.1 pp -107.16 -156.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 159' ' ' ASP . 93.0 m-20 -85.97 69.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 65.93 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.8 m-20 -152.13 27.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -125.41 124.1 5.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.66 ' OG ' HD22 ' A' ' 156' ' ' LEU . 35.8 p -171.84 136.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 10.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.584 ' HB3' ' OE2' ' A' ' 89' ' ' GLU . . . -155.71 120.07 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 10.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.551 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 3.8 m-85 -87.48 148.03 25.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.77 100.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.688 HG23 ' N ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -92.34 137.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 10.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.42 ' HB2' ' N ' ' A' ' 183' ' ' ARG . 1.1 p-80 -177.32 175.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.11 4.36 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 175.37 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -151.48 142.97 23.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -154.88 -56.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.43 ' HB3' ' ND2' ' A' ' 179' ' ' ASN . 8.2 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 171' ' ' ASP . 3.5 p30 -72.74 -5.81 40.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 10.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.464 ' CA ' HD12 ' A' ' 184' ' ' ILE . 1.7 m -117.0 77.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -92.39 64.03 2.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.128 . . . . 10.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 58.54 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.42 ' N ' ' HB2' ' A' ' 166' ' ' HIS . 35.9 mtm180 41.01 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.464 HD12 ' CA ' ' A' ' 180' ' ' SER . 0.0 OUTLIER -136.89 -49.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 49' ' ' ASN . 4.0 t -101.72 118.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 6.1 t -155.95 133.95 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 10.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.516 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -104.02 -146.02 15.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 92' ' ' SER . . . -171.49 104.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 10.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.5 mt 69.83 139.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 10.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.61 158.33 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.31 107.7 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 10.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 1.8 p-80 -161.66 147.06 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 10.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -130.98 59.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 187' ' ' GLY . 59.2 t -134.8 65.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.61 131.55 34.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.78 89.6 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -109.37 114.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.652 ' CG ' HD11 ' A' ' 77' ' ' LEU . 7.0 m-80 -82.01 146.83 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 10.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 4.73 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -107.99 -70.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 10.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -92.33 13.43 67.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 10.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 4.1 tttt 69.62 -60.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.769 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -177.46 139.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.874 HG11 ' HA ' ' A' ' 77' ' ' LEU . 31.1 m -118.08 -9.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.44 -144.17 3.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 169.84 175.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 10.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.86 ' CD1' HD11 ' A' ' 47' ' ' LEU . 19.1 mm -112.95 107.99 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mt-10 -109.04 97.15 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.0 HG23 HG21 ' A' ' 70' ' ' ILE . 16.6 mt -97.43 142.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -142.23 79.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -33.68 126.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 10.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 69.9 p -106.14 -176.6 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 10.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.77 71.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -155.8 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 10.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -125.51 -174.95 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 10.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -39.31 -86.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 10.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.6 OUTLIER -110.45 149.69 29.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t70 -155.3 34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.0 HG21 HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -94.27 177.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.4 59.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 10.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 70' ' ' ILE . 1.6 pp -93.41 129.93 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -155.2 67.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.975 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.886 ' HB1' HD11 ' A' ' 128' ' ' LEU . . . -36.44 133.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 10.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.611 ' N ' HD22 ' A' ' 75' ' ' ASN . 1.2 m-80 -78.87 162.19 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.486 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 16.5 m -110.09 110.31 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.874 ' HA ' HG11 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -34.07 -61.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.62 -55.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 10.0 110.331 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 115.3 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.78 73.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 10.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -37.92 133.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.429 0.723 . . . . 10.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 66.4 m -156.0 65.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -126.71 102.0 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 168.05 34.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 10.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.28 176.44 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 10.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.614 ' O ' ' CE2' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -99.79 169.62 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.561 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -68.05 135.88 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 10.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -116.66 160.85 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 10.0 110.97 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -142.08 -177.74 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.01 57.84 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 10.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -92.26 22.38 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 10.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 64.8 59.69 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 108.29 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG23 ' H ' ' A' ' 95' ' ' ARG . 5.3 m -146.22 -59.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' H ' HG23 ' A' ' 94' ' ' VAL . 22.6 mmt180 -139.46 78.53 26.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 10.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.99 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 10.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 169.24 104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 177.91 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -62.69 135.27 57.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 10.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER 159.84 70.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.25 56.02 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.43 -164.74 10.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.69 -173.98 36.62 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 10.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.985 -0.846 . . . . 10.0 110.985 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 1.2 t0 79.6 100.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' A' ' 168' ' ' GLN . 0.8 OUTLIER -124.49 77.12 62.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.72 26.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 10.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 128' ' ' LEU . 26.1 m-20 60.35 170.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 10.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 83' ' ' LEU . 19.1 mt 43.52 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.742 ' C ' HG13 ' A' ' 130' ' ' VAL . 18.7 pt-20 -135.72 123.84 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.742 HG13 ' C ' ' A' ' 129' ' ' GLU . 0.7 OUTLIER 68.42 161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 76' ' ' SER . . . -77.01 59.75 3.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 10.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.25 32.47 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 10.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.463 ' N ' ' HB2' ' A' ' 76' ' ' SER . 0.1 OUTLIER 62.12 16.01 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 53.08 65.05 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -86.82 78.24 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 10.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 128' ' ' LEU . 7.6 m -122.54 163.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 27.1 p-10 172.01 145.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 138' ' ' VAL . 7.2 m -134.59 96.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 10.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.684 HG21 ' O ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.78 39.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 128.95 11.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 68.09 106.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.464 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -155.35 118.16 2.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 10.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -171.56 60.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.672 ' OG1' HD22 ' A' ' 68' ' ' LEU . 26.1 p -88.02 74.35 8.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 10.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.75 69.0 6.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 10.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' LEU . 22.0 mmtt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 1.024 HD13 ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 10.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 9.1 t-20 64.69 9.25 5.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.748 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -112.66 -20.95 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 1.024 ' CD1' HD13 ' A' ' 153' ' ' LEU . 5.7 mt -84.94 -140.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -120.67 86.17 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 10.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 157' ' ' ASP . 26.9 p-10 -90.81 -42.02 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 161' ' ' SER . . . 128.38 -106.03 0.75 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 1.004 ' HB3' ' HB1' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 55.06 109.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 10.0 109.991 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 87' ' ' ILE . . . -158.69 55.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.533 ' N ' ' OH ' ' A' ' 88' ' ' TYR . 14.2 m-85 -159.2 58.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 10.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.548 ' HB ' ' CE1' ' A' ' 166' ' ' HIS . 13.1 pt -106.78 114.72 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.928 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.5 mp -97.33 133.21 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.552 ' CB ' ' O ' ' A' ' 165' ' ' ILE . 1.2 p-80 159.15 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.85 -21.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 125' ' ' LEU . 3.7 mt-30 -83.99 178.25 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -111.69 108.33 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 10.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.814 ' HB2' HD13 ' A' ' 77' ' ' LEU . 2.6 p30 -135.94 40.63 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 170' ' ' ASP . 4.2 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 184' ' ' ILE . 2.0 m120 175.02 81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.58 71.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 10.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.31 128.33 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 10.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.49 158.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.487 ' HA ' ' ND1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -63.63 116.76 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.301 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.741 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -120.43 -76.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.928 HG13 ' HB ' ' A' ' 165' ' ' ILE . 2.6 p -106.51 110.9 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.12 161.26 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 108.293 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -148.02 16.77 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 10.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 1.004 ' HB1' ' HB3' ' A' ' 161' ' ' SER . . . -49.42 178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 10.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 92' ' ' SER . 6.8 mt 69.4 59.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 10.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 156' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 11.6 m-85 63.24 51.28 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.87 -141.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 10.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -39.44 -48.92 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.18 156.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.65 ' HB ' ' CE2' ' A' ' 163' ' ' PHE . 3.0 m -96.1 114.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -89.12 134.35 34.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -113.75 98.84 7.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.793 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 t -130.08 108.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.787 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -83.07 163.46 20.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 10.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.16 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.1 mm-40 -108.86 -45.75 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 10.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.601 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -35.39 -31.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 10.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 76.86 -47.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 10.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . -176.81 150.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 4.2 m -116.56 8.05 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.675 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 117.67 -113.5 2.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 10.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.3 p90 169.89 157.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.93 73.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 10.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' HIS . 10.2 mt-10 -85.96 120.11 26.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 10.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.846 HG22 ' HB ' ' A' ' 70' ' ' ILE . 1.9 pp -125.69 172.47 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -157.55 57.43 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 10.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 61' ' ' LYS . 3.0 mt-10 26.26 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 10.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 62' ' ' GLU . 24.3 p 33.77 -147.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.01 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.55 -63.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -95.13 -170.63 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 1.007 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -37.06 -92.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 10.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.075 HD23 ' HB2' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -91.56 140.41 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.6 OUTLIER -157.44 40.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.846 ' HB ' HG22 ' A' ' 60' ' ' ILE . 1.3 pp -83.48 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 10.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 59' ' ' GLU . 2.9 t-160 -125.64 74.34 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 10.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 70' ' ' ILE . 2.0 pp -109.32 108.76 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -154.27 68.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 10.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -54.61 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 10.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 133' ' ' ASP . 1.2 m-20 -95.91 -6.33 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.83 ' HB2' HG22 ' A' ' 130' ' ' VAL . 27.0 p 42.5 57.16 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 83' ' ' LEU . 1.3 mt 39.49 -92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 164.86 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 10.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 75.3 3.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 10.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 16.5 63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 10.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -91.76 173.83 7.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 10.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.602 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -100.25 122.84 43.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 10.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.968 HD11 HD12 ' A' ' 77' ' ' LEU . 1.1 mm? -123.96 59.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.9 151.04 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.563 1.164 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 128' ' ' LEU . 13.6 t80 -168.91 137.66 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 10.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 167.19 119.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 162' ' ' ALA . 1.1 tp -39.2 129.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 190' ' ' LEU . 0.1 OUTLIER -107.63 176.07 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 10.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.33 -65.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 10.0 110.356 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -155.04 -171.93 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.359 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -37.2 126.28 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -113.69 -83.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 10.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.558 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -112.22 157.51 20.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 93' ' ' CYS . 41.9 t -156.62 -43.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 172.99 -53.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.96 -44.62 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 10.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.6 t0 65.25 144.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 10.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.77 -54.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.06 69.67 10.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 110.355 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -82.16 120.84 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 10.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.04 -70.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 55.88 93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 10.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.68 99.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 138.74 23.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 10.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 162.77 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 114.01 54.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.44 16.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 10.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -116.12 58.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 85' ' ' PHE . 47.5 mt -146.75 61.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' VAL . 5.0 pt-20 -84.36 108.49 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 10.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 76' ' ' SER . 32.8 t -43.74 165.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 124.14 -18.63 7.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 10.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.0 3.38 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER 72.78 56.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 76' ' ' SER . . . 41.25 27.46 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 10.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 133' ' ' ASP . 15.4 mtpt -86.57 63.09 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -116.95 96.46 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.57 113.04 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.7 m -110.74 104.2 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -155.28 78.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtt -129.49 169.17 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -43.96 128.68 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 1.075 ' HB2' HD23 ' A' ' 68' ' ' LEU . . . -128.51 168.63 15.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -37.11 2.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 10.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.443 ' C ' ' OG1' ' A' ' 145' ' ' THR . 5.5 m-20 168.76 53.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.601 HG22 HG21 ' A' ' 155' ' ' ILE . 0.1 OUTLIER 45.31 97.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 10.0 110.43 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 146' ' ' SER . 0.9 OUTLIER 176.78 35.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 1.05 HD13 HD13 ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 146' ' ' SER . 3.4 mtpt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -138.44 -92.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.711 ' H ' HD12 ' A' ' 153' ' ' LEU . 9.9 t-20 70.26 2.31 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.05 HD13 HD13 ' A' ' 147' ' ' LEU . 0.9 OUTLIER -131.84 -56.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.554 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -103.38 70.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.663 ' OD1' HD11 ' A' ' 87' ' ' ILE . 4.2 m-20 -84.17 139.6 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -25.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 10.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -104.99 -61.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.78 ' HA2' HD11 ' A' ' 60' ' ' ILE . . . -178.59 -75.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 -178.65 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 10.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -147.69 97.95 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 10.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 1.028 ' CE2' HD12 ' A' ' 47' ' ' LEU . 5.2 p90 -112.45 175.99 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.004 HG23 ' CE1' ' A' ' 166' ' ' HIS . 1.2 mp -152.54 117.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.883 HD12 ' CD1' ' A' ' 163' ' ' PHE . 3.4 mp -125.38 78.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 10.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 1.004 ' CE1' HG23 ' A' ' 164' ' ' ILE . 4.1 m-70 -77.32 175.44 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 10.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 181' ' ' GLY . 11.7 pt-20 -63.91 66.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 4.5 mt-30 -83.64 177.65 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 168' ' ' GLN . . . -36.46 151.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 10.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.413 ' OD2' ' C ' ' A' ' 169' ' ' ALA . 0.2 OUTLIER 56.37 175.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.0 t30 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.6 m 87.59 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 10.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 56.19 86.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . -26.9 148.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 10.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.479 ' C ' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -55.91 127.88 32.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER -154.87 -32.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.793 HG22 ' C ' ' A' ' 48' ' ' VAL . 72.3 t -81.24 82.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -155.79 116.18 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -96.05 -53.14 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 10.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 46.91 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.66 73.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -173.84 128.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 10.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.4 95.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.59 149.12 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 10.0 109.562 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.67 68.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 ' HA3' ' A' ' 187' ' ' GLY . 56.0 t -142.0 121.93 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.66 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -106.46 121.9 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 10.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -121.61 100.05 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.806 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.0 p -121.92 119.5 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' ARG . 69.9 m-80 -83.81 146.11 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASN . 16.3 tpt180 -34.22 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.78 -46.0 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 10.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -38.89 -47.44 2.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 10.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 79.28 3.04 2.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 10.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 88.41 124.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 76' ' ' SER . 32.9 m -140.27 12.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.83 -160.64 10.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.111 . . . . 10.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.919 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER 174.32 166.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 10.0 111.03 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.998 HD12 HG23 ' A' ' 72' ' ' ILE . 4.8 mm -99.8 136.39 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' H ' HD13 ' A' ' 72' ' ' ILE . 28.3 mt-10 -152.08 74.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.999 HG23 HD11 ' A' ' 72' ' ' ILE . 1.6 pt -83.72 147.22 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.754 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -152.21 101.73 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 10.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -26.32 128.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 10.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 23.6 p -111.72 -173.89 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -151.9 74.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 10.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' GLY . 45.1 mt-10 -120.9 -172.08 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -30.98 -63.25 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 10.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -149.46 136.96 20.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 10.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -132.69 50.66 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 10.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.863 ' CD1' HD11 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -84.93 178.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -122.1 75.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.177 HG21 ' CE1' ' A' ' 163' ' ' PHE . 36.4 mm -98.09 81.69 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 92.49 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 10.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -106.94 74.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.608 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.2 m-80 -157.26 -159.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.637 ' O ' HG21 ' A' ' 55' ' ' VAL . 4.9 t 95.51 55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.695 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -97.3 -79.1 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 160.6 -56.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.767 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.3 Cg_endo -75.02 163.83 34.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.3 50.42 3.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 10.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 1.003 ' HB1' ' HB3' ' A' ' 168' ' ' GLN . . . -77.05 171.76 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 10.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.909 ' OG ' ' HB2' ' A' ' 169' ' ' ALA . 40.0 m -106.41 126.68 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 10.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.8 ' C ' HG23 ' A' ' 165' ' ' ILE . 0.5 OUTLIER -117.71 73.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -20.45 129.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 10.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.589 ' HB2' HD21 ' A' ' 128' ' ' LEU . 4.0 t80 -116.31 164.16 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 10.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 1.2 t-160 57.47 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 10.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.7 pt -59.27 -174.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 10.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -143.09 61.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 10.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 70.56 -58.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 179.43 7.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 161' ' ' SER . . . -121.93 -55.08 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 10.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.818 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 99.5 p -85.05 146.36 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 10.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.95 65.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 10.0 108.331 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -52.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -150.06 144.05 17.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 10.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 10.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.5 t0 175.49 -70.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -174.06 -64.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.83 119.9 28.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.32 -174.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.51 99.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 10.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 145.39 16.68 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 10.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.73 -122.97 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 10.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.77 33.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.39 132.45 50.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.05 133.47 35.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 165.61 30.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.792 . . . . 10.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -122.91 59.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -170.82 59.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.9 pt-20 -90.82 57.32 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 79' ' ' PRO . 1.6 t 37.53 -146.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.552 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 72.54 -60.67 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.551 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -53.92 -43.38 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 10.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 152.05 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 94.17 42.72 3.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 10.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -123.5 81.46 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 10.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 128' ' ' LEU . 1.5 t -113.66 87.8 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 10.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.825 ' O ' HG22 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -118.97 178.73 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 137' ' ' ASP . 5.7 m 53.43 167.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 10.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.905 HD13 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -130.81 127.06 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 1.8 mmt -86.59 107.16 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' MET . 34.5 t30 79.29 137.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.24 132.53 14.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -44.07 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -177.05 57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.436 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 45.1 p -115.92 60.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.3 p -79.62 124.51 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 10.0 110.051 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 68' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER -41.92 -35.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 6.6 t-20 83.5 -5.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.4 pt -116.58 44.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.23 103.02 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -84.56 89.1 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 72.61 -62.02 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 10.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.402 ' HB3' HD21 ' A' ' 189' ' ' LEU . 1.4 m-20 -115.3 -45.17 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -179.66 -123.37 0.83 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 10.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.472 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . 13.1 p 171.43 152.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.969 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.41 176.15 12.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 10.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 1.177 ' CE1' HG21 ' A' ' 72' ' ' ILE . 24.6 m-85 -87.26 116.02 25.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 10.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 164' ' ' ILE . 3.4 mp -82.91 112.49 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.834 HG23 ' N ' ' A' ' 84' ' ' GLY . 2.2 mp -109.92 147.88 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.686 ' O ' ' C ' ' A' ' 167' ' ' GLU . 0.3 OUTLIER -119.56 112.78 19.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 10.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 166' ' ' HIS . 68.8 mt-10 5.59 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 1.003 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 pt20 -163.91 176.69 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.909 ' HB2' ' OG ' ' A' ' 82' ' ' SER . . . -73.21 -23.54 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.42 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.453 ' ND2' ' H ' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -88.72 65.94 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 10.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 82.8 p -138.17 47.71 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 10.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 119.82 12.68 6.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 10.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' HIS . . . -78.36 111.0 13.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 10.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.4 88.43 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.6 pp -123.19 -34.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 48' ' ' VAL . 2.6 p -84.69 56.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.75 129.21 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 108.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.852 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . -83.75 -54.32 3.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 10.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.818 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 60.63 145.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 10.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 159' ' ' ASP . 0.3 OUTLIER 68.92 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 10.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.48 99.22 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 10.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 140.45 175.26 14.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 10.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 153' ' ' LEU . 4.7 p80 -57.71 -157.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.645 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 1.8 t-160 162.77 113.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 10.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.758 HG11 ' HA ' ' A' ' 162' ' ' ALA . 0.7 OUTLIER -85.12 82.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -27.61 104.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -98.79 78.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 185' ' ' VAL . 0.6 OUTLIER -92.13 141.15 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.877 ' OD1' HG13 ' A' ' 55' ' ' VAL . 2.2 m-80 -112.41 172.19 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -65.19 -25.47 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 10.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 18.9 mt-10 -147.54 -43.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.914 ' O ' HD11 ' A' ' 77' ' ' LEU . . . -30.95 -37.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.1 OUTLIER 92.7 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 10.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 166.86 130.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.907 HG12 ' HB2' ' A' ' 76' ' ' SER . 16.8 m -89.2 26.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 109.82 -123.76 6.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 10.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.15 159.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 10.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.5 mp -99.41 100.35 10.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' ND1' ' A' ' 71' ' ' HIS . 29.7 mt-10 -138.46 69.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.776 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.13 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -143.55 118.23 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 10.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -30.6 136.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 10.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 37.1 m -98.74 -84.49 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER 157.96 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 10.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 5.7 t70 -84.72 -93.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 10.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 13.9 mt-10 -141.9 172.68 12.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . 35.76 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 10.0 111.041 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.752 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -83.62 85.33 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 10.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.875 ' O ' HD11 ' A' ' 139' ' ' ILE . 6.5 m-20 -159.96 52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 70' ' ' ILE . 41.6 mm -84.03 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 174.18 56.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.582 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 72' ' ' ILE . 41.9 mm -106.57 58.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -91.57 88.99 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -100.36 75.55 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -124.48 146.65 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.907 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.3 t -106.92 52.54 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.914 HD11 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 76.31 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 131' ' ' GLY . 14.7 ptt180 170.01 62.24 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 10.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.702 ' HG2' HD11 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.97 -5.99 17.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 10.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . 74.83 66.93 1.83 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.134 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 167.95 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 10.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.677 ' O ' HD13 ' A' ' 83' ' ' LEU . 16.3 m -81.23 150.38 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.885 ' C ' HG23 ' A' ' 165' ' ' ILE . 1.9 mm? -125.29 57.16 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.785 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 51.89 172.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 10.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 1.7 t80 170.82 140.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 10.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 81.01 168.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 10.0 109.625 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mm -99.02 156.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -153.45 175.0 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 10.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -67.29 72.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.69 ' CB ' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.17 153.31 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.292 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.09 -105.37 1.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 10.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -90.38 160.12 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 10.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.44 ' SG ' ' NZ ' ' A' ' 90' ' ' LYS . 1.7 m -101.43 80.61 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.5 p -159.32 44.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 10.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -132.55 99.97 15.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 10.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.34 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 10.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.65 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -168.95 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.02 75.59 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 m 53.06 173.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.03 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.26 53.01 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 10.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 63.5 148.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 10.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.93 119.22 4.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -147.03 173.24 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.07 92.1 49.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 10.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.01 163.34 35.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -94.08 59.08 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -165.1 98.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 130' ' ' VAL . 5.0 pt-20 -148.47 56.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 10.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.887 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.6 OUTLIER -155.83 -162.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.887 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -49.73 -101.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 10.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.872 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . -93.13 42.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.733 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.741 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -70.6 -6.7 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . . . -96.46 7.28 66.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 10.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.872 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.4 OUTLIER -81.39 60.67 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 10.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.33 140.11 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 138' ' ' VAL . 1.3 p30 -149.53 64.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 1.034 ' O ' HD13 ' A' ' 139' ' ' ILE . 2.6 t -159.16 161.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 10.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 1.034 HD13 ' O ' ' A' ' 138' ' ' VAL . 2.5 mm -138.82 157.41 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.01 111.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.02 86.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -92.55 168.72 12.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.544 1.813 . . . . 10.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 t0 175.6 62.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.4 p -87.48 12.95 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.7 m -44.39 120.47 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 10.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.412 ' CD ' ' N ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.2 OUTLIER -62.47 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.499 HD22 HG23 ' A' ' 155' ' ' ILE . 7.6 t30 158.1 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.499 HG23 HD22 ' A' ' 154' ' ' ASN . 3.1 pt -51.93 -21.42 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 153' ' ' LEU . 2.1 mm? -85.31 94.49 8.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -98.76 149.89 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 50.89 -97.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.7 ' HB3' HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -84.78 -30.95 24.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 10.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . 114.33 -117.75 4.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 10.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.497 ' N ' HD12 ' A' ' 156' ' ' LEU . 88.1 p -178.67 166.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 10.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.758 ' HA ' HG11 ' A' ' 45' ' ' VAL . . . -132.7 167.06 20.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 58' ' ' ILE . 7.0 m-85 -85.67 174.68 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.785 HG23 ' NE2' ' A' ' 166' ' ' HIS . 38.4 mm -127.93 100.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 10.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.885 HG23 ' C ' ' A' ' 83' ' ' LEU . 1.2 mp -117.01 103.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.785 ' NE2' HG23 ' A' ' 164' ' ' ILE . 25.0 p80 179.77 179.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 10.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.2 OUTLIER 76.8 -0.45 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 167' ' ' GLU . 13.1 mm100 -142.78 171.45 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 65.73 114.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 10.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 171' ' ' ASP . 4.6 m-20 -134.75 83.11 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 170' ' ' ASP . 4.9 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 181' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.572 ' OD1' HG21 ' A' ' 184' ' ' ILE . 36.7 t-20 -39.76 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 10.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 178' ' ' GLY . 1.4 p -88.98 41.76 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -98.56 12.13 63.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 75.11 137.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 10.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.574 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.6 mtp-105 50.94 77.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -132.06 -79.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 10.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 184' ' ' ILE . 59.8 t -84.34 129.21 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.64 136.38 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -47.31 -51.49 15.24 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 10.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.598 ' H ' ' HB1' ' A' ' 162' ' ' ALA . . . 74.16 73.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.733 ' H ' ' HB2' ' A' ' 162' ' ' ALA . 5.3 mt 61.63 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 1.7 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.13 99.73 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.39 179.28 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 10.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -174.33 85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 10.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.22 54.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 109.581 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 HG12 ' A' ' 58' ' ' ILE . 13.4 t -156.79 71.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.88 92.49 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 10.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 74' ' ' ALA . 12.9 mt -96.94 82.51 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.679 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 p -109.82 123.45 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.899 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.91 165.67 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -1.56 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.42 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 10.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -128.97 -42.77 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 10.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 8.7 tttt 175.42 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 10.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 53' ' ' LYS . . . -122.23 112.28 17.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 77' ' ' LEU . 18.6 m -83.75 -16.75 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . -168.68 -148.07 5.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 10.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER 162.5 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 10.0 111.036 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.863 HG12 HG11 ' A' ' 45' ' ' VAL . 27.9 mm -107.69 120.35 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -139.5 88.96 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 110.315 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.722 HD13 HD22 ' A' ' 156' ' ' LEU . 2.3 pp -85.2 144.03 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -145.29 63.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -4.52 108.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 41.2 t -35.69 -40.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 10.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.58 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -54.81 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -87.2 -159.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 10.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . -122.08 -4.82 9.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -147.15 105.38 3.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 10.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -159.74 27.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 139' ' ' ILE . 1.8 pp -106.98 176.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -135.09 103.49 5.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 10.0 109.593 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.5 pp -120.22 59.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 10.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 1.3 p -126.61 132.63 51.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -123.8 54.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.79 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.85 153.65 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.7 t 145.07 56.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.839 HD11 HD11 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -90.04 -90.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 mtt180 156.32 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 10.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 29.66 83.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 10.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.588 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -121.17 167.26 12.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 1.037 ' O ' HD13 ' A' ' 83' ' ' LEU . 63.9 m -105.97 136.54 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -136.97 100.46 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.842 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -47.68 168.21 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 128' ' ' LEU . 2.6 t80 169.01 124.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 10.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 168.31 121.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 109.641 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 162' ' ' ALA . 3.4 mm -66.55 81.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -155.28 86.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.529 ' HB2' ' HB1' ' A' ' 162' ' ' ALA . 2.2 mt-10 -176.23 -173.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.87 126.63 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.14 143.12 0.57 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 10.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.9 p -94.79 176.03 6.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 10.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.03 155.27 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 10.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 95' ' ' ARG . 54.4 t -147.45 -48.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 tpt85 171.13 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 10.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.05 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 10.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.36 -70.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 10.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.9 t80 56.08 93.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.63 158.05 34.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.99 -47.69 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 10.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.02 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 10.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.39 133.44 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.62 109.42 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 10.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.536 ' CG ' ' HA3' ' A' ' 123' ' ' GLY . 1.6 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 105' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.6 132.73 5.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 10.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -148.51 153.17 39.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 10.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.21 20.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 10.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 6.3 m-20 -120.34 171.31 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 85' ' ' PHE . 3.5 mt 81.33 100.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.7 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -155.24 74.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 10.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 133' ' ' ASP . 0.3 OUTLIER 168.82 107.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 10.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 29.88 -143.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 10.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.759 ' HB1' ' HG2' ' A' ' 135' ' ' LYS . . . -70.44 -6.22 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 10.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.773 ' HB3' HG13 ' A' ' 130' ' ' VAL . 0.5 OUTLIER -63.48 -9.21 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 10.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . -120.47 2.05 12.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 10.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.759 ' HG2' ' HB1' ' A' ' 132' ' ' ALA . 0.2 OUTLIER -81.04 79.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 10.0 109.366 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 136' ' ' VAL . 2.2 t -99.06 87.03 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 10.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -117.56 68.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 137' ' ' ASP . 29.3 m -158.29 143.21 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 70' ' ' ILE . 10.9 mm -113.83 160.25 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 10.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.829 ' HA ' HD22 ' A' ' 68' ' ' LEU . 22.6 mtt -155.35 127.42 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.3 OUTLIER 80.95 73.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 109.269 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 67' ' ' GLY . . . -154.9 149.12 19.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -38.64 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -172.51 64.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.862 HG21 HG23 ' A' ' 70' ' ' ILE . 1.5 p 39.82 53.86 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 10.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.657 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -125.9 -8.07 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 10.0 109.975 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.859 ' N ' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -115.53 -42.61 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.685 ' H ' HD12 ' A' ' 153' ' ' LEU . 7.5 t30 71.23 6.5 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 10.0 109.268 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.738 ' CG2' HD23 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -114.15 -53.36 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.738 HD23 ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -129.89 65.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.514 ' CB ' HD11 ' A' ' 153' ' ' LEU . 1.6 t0 -112.21 144.71 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.849 ' O ' HD13 ' A' ' 189' ' ' LEU . 1.5 tt0 -39.1 -59.6 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.37 46.11 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 10.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -119.46 -8.28 9.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 10.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 190' ' ' LEU . 1.5 m -96.32 142.45 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.61 138.56 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 33.2 m-85 -155.81 84.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 10.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.556 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 8.6 mm -83.8 117.66 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 10.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.842 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.1 mp -127.66 111.81 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.556 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 16.8 p80 178.81 177.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.444 ' CA ' ' HA3' ' A' ' 181' ' ' GLY . 0.5 OUTLIER 76.99 -1.98 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 10.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 32.5 mt-30 -145.21 162.57 36.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 10.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.67 174.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.56 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.4 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 1.8 m-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 10.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.4 t-20 -51.66 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.9 t 94.21 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 10.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.597 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 154.28 -121.22 1.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 10.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 59.78 146.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 10.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -41.63 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.819 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -124.25 -68.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.899 HG21 ' OD1' ' A' ' 49' ' ' ASN . 73.3 t -86.1 137.38 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.245 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.1 140.46 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 108.277 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.807 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -148.77 143.59 11.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -176.91 177.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER 73.33 80.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.477 ' N ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 96.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 10.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 125.55 159.19 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.521 1.138 . . . . 10.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -58.17 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 10.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -167.06 155.95 10.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 10.0 109.652 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.804 HG22 ' N ' ' A' ' 188' ' ' ALA . 3.8 t -85.41 75.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -36.77 108.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.65 88.98 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 10.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 53' ' ' LYS . 97.7 t -108.81 105.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.6 p30 -98.6 -170.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.7 tpt85 -28.76 -89.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.3 mt-10 -105.62 -31.6 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.661 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -29.41 -40.74 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 48' ' ' VAL . 16.0 tttm 72.49 -52.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 10.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.07 128.73 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 77' ' ' LEU . 1.5 m -113.48 12.68 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' CD1' ' A' ' 47' ' ' LEU . . . 137.15 -129.62 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.107 . . . . 10.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 47' ' ' LEU . 3.1 p90 177.79 162.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 10.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 47' ' ' LEU . 1.6 mp -124.29 97.65 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 70' ' ' ILE . 1.1 pt-20 -122.66 129.04 51.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.799 HG23 ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.2 146.69 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -149.49 107.25 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -37.72 120.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -96.55 -113.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 170.6 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.84 -69.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -134.74 -166.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.09 -91.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 10.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 68' ' ' LEU . 1.7 pt? -127.45 148.69 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 10.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 1.041 ' O ' HD13 ' A' ' 70' ' ' ILE . 2.6 m-20 -135.03 11.21 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 69' ' ' ASP . 2.1 mm -139.52 163.59 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 10.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.869 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 76.86 46.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.563 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.834 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -162.17 56.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.15 177.5 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 10.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -145.98 172.55 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.89 -11.13 31.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 10.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.59 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER 71.65 86.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 10.0 110.024 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD11 HG11 ' A' ' 55' ' ' VAL . 1.1 mt -34.52 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 157.97 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 10.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 56.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 10.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 26.88 45.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 10.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.594 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -63.83 150.05 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 10.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.82 ' C ' HD13 ' A' ' 83' ' ' LEU . 47.7 m -96.55 107.39 19.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -108.85 112.46 24.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.46 137.24 9.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.834 ' CZ ' HG22 ' A' ' 72' ' ' ILE . 6.7 p90 -133.37 157.97 44.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 10.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -176.88 137.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 10.0 109.626 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 87' ' ' ILE . 2.2 mp -46.28 110.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -150.75 143.54 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 10.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.47 143.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 10.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 5.0 pttt -106.99 92.97 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 10.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.04 166.25 11.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.417 ' CB ' ' CB ' ' A' ' 188' ' ' ALA . 37.5 p -86.08 147.6 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 10.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.47 99.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 108.322 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' VAL . 26.6 m -144.37 69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 64.86 88.8 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.01 -38.32 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER 79.55 -70.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER 167.1 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 111.03 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.88 -67.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t 55.59 99.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 109.995 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.58 83.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.24 -140.74 6.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 10.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.7 150.31 22.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -74.98 -87.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 10.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 10.0 110.99 -179.986 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -174.12 143.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 10.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.37 3.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.02 25.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 136' ' ' VAL . 72.6 m-20 -84.11 62.84 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 10.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.57 70.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.3 OUTLIER -119.7 59.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 10.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.594 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 36.73 -150.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 73.71 -54.35 2.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 10.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -89.41 21.52 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 10.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 61.49 42.05 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 10.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 39.23 25.92 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 10.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 133' ' ' ASP . 9.9 mtpt -90.2 59.34 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.828 ' O ' HG12 ' A' ' 136' ' ' VAL . 12.7 t -113.01 58.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.878 ' O ' HG22 ' A' ' 138' ' ' VAL . 20.9 p-10 -77.44 177.85 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 137' ' ' ASP . 4.6 m 55.0 163.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.51 HD12 HG12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -129.73 -169.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 10.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 3.3 mtt -119.86 94.96 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.6 t30 62.33 146.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.48 143.47 44.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 10.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 10.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.54 47.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 10.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.588 ' HA ' HG21 ' A' ' 155' ' ' ILE . 68.5 p -103.81 65.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -79.38 119.4 22.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.021 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 68' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 10.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.9 pp -88.57 61.02 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -90.89 37.52 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 10.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.655 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.68 -34.38 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 190' ' ' LEU . 1.5 mt -85.53 -142.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -176.3 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.36 12.35 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 156' ' ' LEU . . . 81.62 -97.94 1.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 156' ' ' LEU . 9.1 t -159.09 172.06 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 0.79 . . . . 10.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.4 113.93 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.722 ' CE2' ' CG ' ' A' ' 85' ' ' PHE . 5.0 m-85 -85.77 99.84 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.6 pt -96.07 101.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 165' ' ' ILE . 3.2 mp -97.28 114.77 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.545 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 3.3 p80 -176.88 173.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.38 10.08 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 166' ' ' HIS . 9.7 mm-40 -88.85 174.61 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 170' ' ' ASP . . . -85.92 166.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 10.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . 31.0 m-20 53.83 171.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 10.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 180' ' ' SER . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -69.87 58.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 10.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.444 ' CB ' ' OD1' ' A' ' 171' ' ' ASP . 34.0 t -160.83 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . -111.49 51.06 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.541 1.151 . . . . 10.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 178.95 143.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 10.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.545 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -59.05 124.22 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.678 HG12 HG23 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -141.46 -42.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.678 HG23 HG12 ' A' ' 184' ' ' ILE . 9.1 t -85.6 112.23 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.97 131.47 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.455 ' N ' HG13 ' A' ' 45' ' ' VAL . . . -135.57 -43.05 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 10.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.804 ' N ' HG22 ' A' ' 45' ' ' VAL . . . 58.27 166.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 10.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 30.2 mt 56.56 85.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 10.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 156' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -176.75 -178.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.73 138.94 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 10.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -67.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 10.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 10.0 109.562 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.666 HG13 ' C ' ' A' ' 187' ' ' GLY . 39.0 t -123.72 58.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.559 ' C ' HD13 ' A' ' 47' ' ' LEU . 3.0 pm0 -84.86 145.39 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.87 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -119.48 101.16 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 53' ' ' LYS . 2.8 t -129.46 106.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.788 ' OD1' HG11 ' A' ' 185' ' ' VAL . 2.3 m-80 -87.95 152.38 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.12 -55.17 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' LYS . 75.5 mm-40 -95.63 -51.18 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 10.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' ' 77' ' ' LEU . . . -37.7 -29.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.108 . . . . 10.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.648 ' O ' HG22 ' A' ' 48' ' ' VAL . 19.2 tptt 71.36 -51.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 10.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 176.67 121.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' HG ' ' A' ' 77' ' ' LEU . 4.5 m -90.46 21.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.52 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 111.27 -111.09 2.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 10.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.732 ' N ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 170.66 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 10.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.719 HG23 ' CG2' ' A' ' 72' ' ' ILE . 9.2 mt -111.16 91.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 71' ' ' HIS . 52.6 mm-40 -95.52 128.39 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -110.96 174.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -167.63 72.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 10.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -11.46 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 t -67.1 -146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.68 38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.84 -84.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -156.36 158.28 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 142' ' ' ALA . . . 50.35 -164.67 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 10.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.884 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -89.75 127.42 35.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.747 ' HA ' HG22 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -134.97 36.6 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.756 ' CG2' HD22 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -84.5 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -115.48 80.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.594 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.4 pp -106.52 125.29 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -156.05 110.68 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 10.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB3' ' CA ' ' A' ' 134' ' ' GLY . . . -75.9 178.65 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 10.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' HB2' ' CA ' ' A' ' 56' ' ' GLY . 1.4 m-20 -95.9 -13.15 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.684 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.3 t 57.34 72.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 10.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.803 ' HG ' HG12 ' A' ' 55' ' ' VAL . 2.2 mt -11.29 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.567 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.86 -57.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 78.13 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.35 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 10.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' H ' HG11 ' A' ' 130' ' ' VAL . . . -82.85 148.54 27.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.831 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.24 94.96 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 10.0 109.99 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.864 HD13 ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.22 96.78 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.66 126.65 7.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 1.127 ' CE2' HD13 ' A' ' 128' ' ' LEU . 38.4 p90 -170.92 85.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 10.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.676 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -178.74 63.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 10.0 109.603 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 86' ' ' HIS . 2.5 pp -158.56 -173.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.2 p90 -147.47 59.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.588 ' H ' ' HB3' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -61.02 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 10.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.67 104.21 14.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 126.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 10.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.448 ' C ' ' SG ' ' A' ' 93' ' ' CYS . 79.1 p -89.98 123.19 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 10.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 92' ' ' SER . 1.8 m 81.67 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.4 93.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.516 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -76.43 -50.67 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 10.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 10.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 1.7 p-10 172.22 157.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -127.73 -137.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.16 164.89 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 p -135.39 97.22 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.07 -111.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 10.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.67 177.88 52.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 157.54 43.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 10.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 10.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.68 115.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 10.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.06 151.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 10.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.08 15.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.771 . . . . 10.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.99 59.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 10.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.127 HD13 ' CE2' ' A' ' 85' ' ' PHE . 1.5 mt -133.32 60.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 10.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 130' ' ' VAL . 10.2 mt-10 -84.94 69.08 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.801 HG13 ' N ' ' A' ' 131' ' ' GLY . 2.6 p 33.29 -147.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.801 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 61.18 45.36 96.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 10.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 89.37 -7.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 129' ' ' GLU . 1.3 m-20 -52.92 -39.97 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.703 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -71.42 -17.05 75.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 10.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.68 59.36 5.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.766 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -105.22 176.78 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 138' ' ' VAL . 7.3 p-10 -163.75 110.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 10.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.945 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.3 OUTLIER 48.23 177.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 10.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.945 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.68 177.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.1 OUTLIER -142.28 155.99 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 10.0 110.987 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 140' ' ' MET . 4.0 t30 43.71 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -152.88 118.41 2.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.68 14.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 10.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 145' ' ' THR . 6.8 m-20 -51.2 -47.83 62.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 144' ' ' ASP . 0.2 OUTLIER 29.32 51.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 155' ' ' ILE . 1.8 p -85.2 44.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.6 pp -76.21 54.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -80.2 7.72 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 10.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 146' ' ' SER . 0.7 OUTLIER -89.75 21.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.9 pp -82.09 101.61 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 159' ' ' ASP . 0.4 OUTLIER -82.21 82.58 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.15 -61.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 10.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 9.7 t70 -83.58 -60.19 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.5 ' CA ' HD21 ' A' ' 190' ' ' LEU . . . 152.96 -105.31 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -92.08 161.73 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.61 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -142.92 108.81 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 15.0 m-85 -147.8 57.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 186' ' ' CYS . 34.6 pt -86.03 143.44 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.77 ' HB ' HG13 ' A' ' 185' ' ' VAL . 2.6 mp -109.16 143.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 19.4 p80 176.96 178.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 109.6 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.6 OUTLIER 79.71 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 10.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 2.8 mm-40 -137.46 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 10.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -174.67 -80.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.18 115.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.319 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 178' ' ' GLY . 14.2 t-20 -32.68 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 10.0 109.248 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 1.7 m 81.83 36.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 110.05 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -76.67 0.22 65.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 61.24 144.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.688 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 45.9 81.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 10.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 183' ' ' ARG . 1.5 mp -122.24 -64.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.788 HG11 ' OD1' ' A' ' 49' ' ' ASN . 1.5 p -112.28 146.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 10.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -141.65 146.81 36.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.666 ' C ' HG13 ' A' ' 45' ' ' VAL . . . -173.7 118.61 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 10.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 165.66 103.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.473 ' H ' HG22 ' A' ' 45' ' ' VAL . 3.4 mt -151.97 77.9 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 190' ' ' LEU . 2.1 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 25.6 p90 42.93 -171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.57 -161.83 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 10.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -62.89 -177.43 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 10.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -90.71 75.13 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 10.0 109.599 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.787 ' CG1' HD13 ' A' ' 58' ' ' ILE . 2.0 p -122.03 86.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -97.46 100.86 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.737 HD11 ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -82.98 84.45 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 10.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.615 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.4 t -113.12 114.74 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.663 ' OD1' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.21 148.2 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -81.24 7.37 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 10.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 179' ' ' ASN . 7.0 mm-40 -104.61 -67.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.77 -78.21 1.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 10.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -178.77 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 10.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 177.5 163.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG12 ' CD2' ' A' ' 77' ' ' LEU . 10.6 m -106.75 -15.69 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.568 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . 162.24 -130.1 2.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.612 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 161.12 166.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 10.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.9 mp -108.53 118.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' OE2' ' CD1' ' A' ' 57' ' ' PHE . 2.0 mt-10 -154.6 82.13 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 10.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.95 ' N ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -156.65 -176.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.15 139.44 54.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.97 151.27 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.3 p -105.23 124.11 48.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.3 60.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -66.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.62 -174.99 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 46.93 -133.33 12.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.446 1.092 . . . . 10.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.774 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.4 OUTLIER -137.52 -114.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.77 . . . . 10.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.94 ' CB ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -81.25 -176.89 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.045 ' O ' HD12 ' A' ' 70' ' ' ILE . 2.3 pp -117.24 50.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.864 ' HB2' HG21 ' A' ' 60' ' ' ILE . 0.2 OUTLIER 162.2 62.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 109.608 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.671 HG21 ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -110.1 55.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 38.8 p -103.19 175.81 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 172.95 85.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.833 ' ND2' HD22 ' A' ' 128' ' ' LEU . 14.2 m-80 -157.25 -43.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 10.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -62.93 105.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 10.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.04 -69.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 10.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 163.19 -60.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 10.0 110.315 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.06 44.65 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 10.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.57 51.84 0.31 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 10.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -82.83 176.67 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 10.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.893 ' O ' HD13 ' A' ' 83' ' ' LEU . 72.3 m -91.62 151.74 20.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 10.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -131.54 155.05 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.839 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -159.25 72.87 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.125 . . . . 10.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.72 ' HD1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -103.39 165.49 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 10.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER 161.59 126.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 10.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 163' ' ' PHE . 1.7 mp -67.38 108.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 174.19 15.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 10.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 41.81 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' GLY . 11.0 ptmt -84.29 169.82 14.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . -51.42 -173.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 10.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.562 ' CB ' HG21 ' A' ' 164' ' ' ILE . 5.3 t -146.21 136.05 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 10.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 14.5 m 78.22 84.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 10.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 95' ' ' ARG . 9.1 p -152.41 -52.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.506 ' N ' HG13 ' A' ' 94' ' ' VAL . 30.8 mmt180 -145.2 140.16 15.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 10.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.42 141.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 54.17 104.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -55.73 24.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -140.18 151.66 45.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.985 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.6 -77.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.5 -106.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 10.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.85 -173.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 10.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 10.0 111.007 179.976 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 t0 57.85 170.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 10.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.0 156.28 69.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.587 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 10.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.64 78.76 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.833 HD22 ' ND2' ' A' ' 75' ' ' ASN . 12.9 mt -136.42 123.23 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -142.33 138.36 31.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.709 HG22 HD21 ' A' ' 83' ' ' LEU . 2.1 t -59.58 -145.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 10.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 59.17 26.02 60.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 90.06 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 10.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.495 ' CB ' ' HG3' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -46.53 -26.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 10.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -66.73 -29.02 74.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 10.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -83.53 74.63 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 10.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.1 t -114.03 110.75 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.7 p-10 -77.28 99.53 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.947 ' C ' HD13 ' A' ' 139' ' ' ILE . 4.2 m -80.8 100.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.947 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -133.8 18.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 10.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.19 20.5 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -146.56 49.46 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -142.59 131.02 11.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.453 ' O ' ' OD1' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.97 -43.06 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 143' ' ' PRO . 0.1 OUTLIER 176.35 69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.774 ' OG1' HD22 ' A' ' 68' ' ' LEU . 43.6 p -85.39 69.41 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.27 96.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 10.0 109.273 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 153' ' ' LEU . 2.9 pp -73.43 66.83 1.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 10.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -99.67 10.31 41.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -77.76 -14.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.848 HD12 ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.45 -168.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.41 82.41 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 68.67 -72.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 10.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -147.87 46.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.61 76.44 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.848 ' OG ' HD12 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -119.98 5.95 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 10.0 110.009 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.631 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -83.13 136.3 34.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 0.3 OUTLIER -116.73 92.15 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 10.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -86.77 123.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.839 HG23 ' H ' ' A' ' 84' ' ' GLY . 4.9 mp -85.75 126.45 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -165.97 175.94 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 10.0 109.583 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 1.5 mt-10 84.13 -10.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 2.2 mt-30 -146.77 164.49 32.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 86.47 148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 179' ' ' ASN . 6.4 p-10 165.2 119.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 10.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.518 HD21 HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -67.43 -142.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 179' ' ' ASN . 3.7 p 85.52 53.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 10.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.62 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -179.2 127.15 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.642 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 78.91 154.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 10.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.46 116.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 182' ' ' ALA . 1.2 mp -113.1 -39.04 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.4 p -129.69 133.6 64.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 146.34 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 108.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -114.19 -20.32 5.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.559 1.162 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 60.64 117.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 10.0 109.256 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 189' ' ' LEU . 3.3 pp -155.04 58.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 14.6 m-85 47.85 22.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.78 -164.5 12.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.133 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.2 p80 41.22 86.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 10.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 40.0 t60 -117.78 160.59 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.875 HG12 ' HA3' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -122.82 116.86 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.63 89.56 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 10.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.884 ' CD1' HD11 ' A' ' 58' ' ' ILE . 3.2 mt -86.54 100.4 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.62 HG12 HG21 ' A' ' 185' ' ' VAL . 5.0 t -122.4 155.24 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.766 ' ND2' HD11 ' A' ' 77' ' ' LEU . 8.0 m-80 -112.02 -17.6 12.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 82.96 -7.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' ND2' ' A' ' 179' ' ' ASN . 26.5 mt-10 -97.11 -74.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 10.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.49 -75.23 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -179.13 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 10.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.7 167.49 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -124.1 19.8 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -149.62 18.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 10.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' C ' HD12 ' A' ' 58' ' ' ILE . 16.8 p90 -165.93 166.62 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.884 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -130.65 108.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 10.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -135.99 86.14 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -135.09 144.36 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.67 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 175.19 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -150.78 158.13 43.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 10.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -148.5 -173.18 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -157.68 -103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.22 -35.67 7.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 67' ' ' GLY . 5.0 mm-40 -99.69 -170.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 10.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.944 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -24.85 -99.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 10.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 ' O ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -159.41 139.55 11.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 10.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.17 59.35 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.064 HD11 HD12 ' A' ' 139' ' ' ILE . 1.1 pp -79.93 152.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 60' ' ' ILE . 9.8 m170 -113.55 63.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 60' ' ' ILE . 1.3 mt -79.98 99.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 82.7 p -153.79 162.27 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 10.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -129.02 167.63 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 10.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -14.74 50.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 10.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.882 ' HA ' HD11 ' A' ' 83' ' ' LEU . 3.4 t 45.84 56.56 5.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 10.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.766 HD11 ' ND2' ' A' ' 49' ' ' ASN . 7.2 mt 34.49 -91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 163.46 -55.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.04 109.21 2.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 10.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 30.84 65.97 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' ' OG ' ' A' ' 76' ' ' SER . . . -53.8 150.37 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 10.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 168' ' ' GLN . 3.1 m -145.77 59.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 10.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -109.21 116.2 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.19 117.43 5.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 10.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -98.73 138.48 35.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 10.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 6.4 p-80 167.89 123.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.811 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -84.72 106.35 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.9 m-85 -156.7 76.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 1.1 mt-10 179.69 -171.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -146.05 83.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 10.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 45.63 99.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 10.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.72 124.28 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.734 . . . . 10.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 134.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 10.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t 64.32 94.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 60.0 89.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 110.253 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.764 . . . . 10.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.9 OUTLIER 81.81 24.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 97' ' ' ASP . 0.3 OUTLIER 71.55 -58.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 10.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -39.75 125.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 10.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -159.93 157.98 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.53 90.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -156.59 -107.33 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 10.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.94 100.37 2.04 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.71 9.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 10.0 110.951 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.88 157.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 10.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.833 HD11 ' OE1' ' A' ' 129' ' ' GLU . 0.6 OUTLIER -106.9 156.78 36.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 10.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.78 ' O ' HD23 ' A' ' 128' ' ' LEU . 3.6 m-20 -81.32 74.94 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 127' ' ' ASN . 9.6 mt -148.49 59.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.833 ' OE1' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -155.76 58.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 10.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.736 HG13 ' CG ' ' A' ' 133' ' ' ASP . 1.5 m -164.34 179.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.736 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -35.87 104.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 10.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . 40.43 32.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 10.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.736 ' CG ' HG13 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -68.19 -14.09 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.528 ' H ' ' CB ' ' A' ' 76' ' ' SER . . . -88.22 2.79 85.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 10.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.616 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.58 56.88 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 72' ' ' ILE . 1.5 t -127.67 120.1 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.731 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -137.29 177.01 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 64.11 154.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 1.064 HD12 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -129.52 128.49 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 16.5 mtp -84.81 88.16 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 140' ' ' MET . 28.1 t30 82.86 95.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.667 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -82.8 134.36 47.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 10.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.06 -61.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.56 59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 10.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.959 ' O ' HD11 ' A' ' 68' ' ' LEU . 2.6 p -95.44 59.91 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 10.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 153' ' ' LEU . 62.8 p -78.29 109.05 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.292 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -32.91 -58.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 11.0 t-20 76.79 16.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.78 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -115.56 -33.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.872 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -83.64 -152.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 159' ' ' ASP . 18.6 t70 -86.16 42.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.44 -61.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 10.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -83.17 -60.47 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 156' ' ' LEU . . . 167.72 -162.8 36.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 10.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.51 ' CB ' HG12 ' A' ' 87' ' ' ILE . 2.5 t -164.25 -162.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 10.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.401 ' HA ' HD23 ' A' ' 190' ' ' LEU . . . -156.02 148.27 23.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 10.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.21 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.402 HG22 ' HB3' ' A' ' 166' ' ' HIS . 15.9 mt -87.57 116.37 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 83' ' ' LEU . 2.8 mt -93.37 60.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 183' ' ' ARG . 15.1 p-80 -91.46 169.72 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 10.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 70.38 13.94 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 10.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -82.32 176.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 110.259 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -171.99 -166.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 10.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.96 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 10.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 179' ' ' ASN . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 178' ' ' GLY . 1.8 m-80 -171.51 121.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 168' ' ' GLN . 5.0 t -104.57 -65.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 10.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -168.64 -133.21 1.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.472 1.108 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 53.89 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 10.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 3.4 mtm105 -73.44 133.4 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -126.03 -97.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.62 HG21 HG12 ' A' ' 48' ' ' VAL . 2.4 t -101.44 147.41 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 187' ' ' GLY . 0.5 OUTLIER -137.5 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 108.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.875 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -55.07 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.123 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 151.68 83.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.3 mt 67.94 132.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 162' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -100.86 110.96 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 10.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.08 -164.94 39.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.099 . . . . 10.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 190' ' ' LEU . 3.6 m80 -69.82 -169.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 10.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -159.95 166.6 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' H ' ' A' ' 163' ' ' PHE . 0.2 OUTLIER -101.84 114.52 41.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 10.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CA ' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -74.88 91.74 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 58' ' ' ILE . 4.5 mt -97.31 93.42 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.761 ' N ' HG23 ' A' ' 185' ' ' VAL . 2.6 t -140.83 128.04 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -100.43 168.34 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -33.7 70.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.71 -69.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.85 -46.24 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 12.0 tttp 92.46 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 10.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . 178.86 118.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.982 HG23 ' HB1' ' A' ' 74' ' ' ALA . 8.7 m -83.97 -9.59 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 10.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.18 -113.4 0.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 10.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.716 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 163.51 163.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 10.0 110.964 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 47' ' ' LEU . 3.9 mp -99.05 104.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -115.87 114.53 24.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 70' ' ' ILE . 15.9 mt -103.37 114.63 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -108.14 79.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.945 ' HA ' HD13 ' A' ' 68' ' ' LEU . 1.6 mt-10 -36.19 154.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 110.335 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.76 ' H ' HD22 ' A' ' 68' ' ' LEU . 51.7 m -115.75 -81.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 10.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -65.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.22 -51.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 10.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 68' ' ' LEU . 18.2 pt-20 -83.82 -164.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.704 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . -31.51 135.85 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 10.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.945 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.76 166.01 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -85.14 66.09 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 10.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.883 HG21 HG23 ' A' ' 60' ' ' ILE . 2.5 pp -81.47 127.12 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' H ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.14 71.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 10.0 109.606 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.782 ' HB ' HG23 ' A' ' 58' ' ' ILE . 1.2 pp -100.24 71.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.678 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.6 p -108.45 132.01 54.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.982 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 163.94 126.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -152.76 -68.94 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.595 ' CB ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -168.2 79.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -83.79 114.53 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 10.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.516 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.68 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 10.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -149.21 42.32 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 10.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 146.07 62.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.574 ' O ' HD13 ' A' ' 83' ' ' LEU . 42.2 m -160.15 58.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -119.51 119.52 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 10.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.15 134.5 8.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -153.53 138.31 17.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 10.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' ILE . 59.4 t-80 -166.43 110.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 10.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' HIS . 8.3 mm -38.88 111.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 174.41 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -118.39 64.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.84 82.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.78 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 10.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -153.65 -60.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.753 . . . . 10.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.66 139.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 10.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 94' ' ' VAL . 75.8 t 65.72 72.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 64.4 94.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 10.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t0 173.7 87.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 54.7 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.82 137.95 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.77 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.78 68.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 10.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.08 118.22 0.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 10.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.85 157.46 24.63 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 10.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 10.0 110.988 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.4 169.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 10.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 113.9 54.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.8 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.476 1.777 . . . . 10.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HD12 ' A' ' 128' ' ' LEU . 4.4 m120 61.4 167.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 127' ' ' ASN . 0.2 OUTLIER 84.02 83.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 10.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.827 ' C ' HG12 ' A' ' 130' ' ' VAL . 1.4 pt-20 -123.73 66.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 10.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 163.42 125.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 76' ' ' SER . . . -42.44 -42.41 4.47 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 10.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 135' ' ' LYS . . . -55.83 -41.65 74.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 10.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.691 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.2 t70 -45.59 -31.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.64 -24.07 65.79 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 10.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' ALA . 2.5 mttt -86.28 56.61 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.47 126.24 74.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.771 ' C ' HG23 ' A' ' 138' ' ' VAL . 20.4 p-10 -174.09 -178.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.771 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 67.44 137.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 10.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.666 HG13 ' HB2' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -138.77 168.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -134.71 103.14 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.1 t30 79.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.704 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -84.37 132.7 46.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 10.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.56 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 10.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.425 ' C ' ' OD2' ' A' ' 144' ' ' ASP . 31.8 t0 -179.98 74.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.501 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 0.7 OUTLIER -97.84 61.23 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 10.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.942 ' HB2' HD23 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 77.57 4.96 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 10.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.561 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.4 mttt . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.942 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 25.56 78.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -88.99 -11.91 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 10.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.741 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -109.22 -23.31 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 155' ' ' ILE . 2.9 mm? -83.75 -125.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.557 ' O ' HD13 ' A' ' 153' ' ' LEU . 5.0 t0 -112.78 145.24 40.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -22.05 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.66 -68.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 157' ' ' ASP . . . -144.87 -122.35 1.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -153.8 112.01 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 10.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 189' ' ' LEU . . . -109.37 104.73 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.691 ' H ' HG11 ' A' ' 45' ' ' VAL . 10.3 m-85 -109.75 80.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.23 118.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.481 ' HB ' HG13 ' A' ' 185' ' ' VAL . 3.4 mp -88.71 139.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 1.5 p-80 -179.86 178.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 6.7 mt-10 85.72 -31.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.725 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 71.7 mt-30 -156.89 174.93 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 87.02 -158.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 10.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 74.28 -66.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 10.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.625 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.7 OUTLIER -57.57 -68.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 10.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.0 t 96.05 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 170' ' ' ASP . . . 177.9 -130.33 1.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 10.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.43 166.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 111.77 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 10.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.603 HD11 ' OD1' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -132.33 -37.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 10.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' VAL . . . . . 0.761 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -110.86 124.33 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.19 139.81 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 108.305 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.629 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -105.68 -169.21 23.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 10.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 189' ' ' LEU . . . -126.19 77.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -35.25 149.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 10.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.933 ' O ' HD12 ' A' ' 190' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 10.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.54 ' H ' HG23 ' A' ' 35' ' ' VAL . 13.9 p -136.11 162.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.41 176.08 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 t -145.73 156.37 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 10.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -71.44 -177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 10.0 110.007 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -88.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 10.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -79.62 170.74 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 10.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.32 -175.99 14.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 3.0 t-160 58.01 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 10.0 109.57 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 37.2 m80 -149.74 168.82 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 58' ' ' ILE . 4.3 m -90.06 104.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.519 ' HG2' HG12 ' A' ' 48' ' ' VAL . 1.2 pm0 -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 10.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -110.13 99.22 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 10.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.718 ' O ' HG21 ' A' ' 185' ' ' VAL . 1.5 p -129.6 153.18 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 10.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.552 ' ND2' HD12 ' A' ' 83' ' ' LEU . 1.3 m-80 -129.19 145.23 51.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.56 68.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -119.6 -40.48 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 10.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -44.35 -39.18 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 10.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 7.3 tptt 88.25 -13.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 10.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -55.46 145.37 22.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -155.63 27.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -73.26 -134.48 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 10.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 174.44 162.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 10.0 110.984 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.052 HG23 HG22 ' A' ' 72' ' ' ILE . 13.7 mm -86.51 84.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -86.6 93.38 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 10.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 70' ' ' ILE . 2.3 pt -96.51 129.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -128.57 72.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 10.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.7 pp20? -31.02 137.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -145.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 10.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.06 80.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.55 -79.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -155.09 155.86 34.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 10.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 45.82 -100.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 10.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -145.38 173.68 11.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 10.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.56 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -156.09 37.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -84.18 171.31 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 10.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 8.5 t-80 -121.43 63.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.052 HG22 HG23 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -85.83 92.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 10.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 p -155.04 124.15 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -82.66 172.92 12.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.642 ' HA ' HD11 ' A' ' 77' ' ' LEU . 24.7 p30 -155.56 -173.28 4.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.434 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . 20.9 t 66.25 57.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 10.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.747 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -124.85 -152.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.73 -57.53 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.72 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.97 161.23 39.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 10.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 48.32 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 10.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 169' ' ' ALA . . . -97.28 172.51 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.988 ' O ' HD13 ' A' ' 83' ' ' LEU . 13.8 m -98.13 157.72 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -137.08 61.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 116.51 175.08 17.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 10.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 21.0 t80 -149.27 169.6 20.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.48 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 m170 -60.6 168.34 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.636 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . 1.3 pt -52.35 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.55 ' N ' ' HB3' ' A' ' 162' ' ' ALA . 6.6 m-85 -155.95 59.75 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 10.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.846 ' OE2' HD13 ' A' ' 164' ' ' ILE . 2.4 tt0 -165.56 151.43 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 10.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -100.54 105.83 17.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 10.0 109.259 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.731 ' H ' HD21 ' A' ' 190' ' ' LEU . . . 63.4 149.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 10.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 188' ' ' ALA . 0.3 OUTLIER -83.71 102.95 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.003 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.6 m 47.51 58.77 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 91' ' ' GLY . 4.8 p -150.09 21.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -157.14 120.54 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -88.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -170.93 102.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -167.43 -63.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.99 89.27 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 10.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m 52.96 92.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.04 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.21 -58.98 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.22 -104.3 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 10.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 38.09 -154.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.51 1.795 . . . . 10.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -129.27 177.68 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 65.07 160.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.62 2.97 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 10.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 10.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 46.98 89.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.02 75.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -127.56 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 120' ' ' HIS . 23.7 t60 56.23 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 10.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -134.06 113.02 1.12 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.41 -29.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.94 83.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 171.83 6.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.66 11.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.802 . . . . 10.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 15.5 mmt -80.62 -48.69 12.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 85.05 169.94 46.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 10.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.735 ' NE2' ' HB2' ' A' ' 122' ' ' ALA . 6.2 t-80 -165.19 157.33 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 10.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.509 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -145.65 -46.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 10.0 109.596 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.735 ' HB2' ' NE2' ' A' ' 120' ' ' HIS . . . 71.81 -84.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 10.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.49 38.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 10.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.23 149.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 10.0 109.337 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -119.49 147.79 44.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 10.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 147.27 33.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 10.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HG21 ' A' ' 136' ' ' VAL . 79.8 m-20 -82.83 63.3 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.2 pp -164.3 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -112.41 59.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 10.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.734 HG22 HD22 ' A' ' 77' ' ' LEU . 3.7 t 51.55 176.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.666 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 113.44 -5.9 24.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -157.25 26.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 10.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.82 27.8 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 55.84 29.96 55.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 10.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 63.5 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.696 HG21 ' O ' ' A' ' 127' ' ' ASN . 0.9 OUTLIER -109.32 96.76 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 23.4 p30 -111.06 118.16 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -93.55 110.6 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -153.19 41.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 9.2 mtp -142.43 105.7 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.6 t30 65.31 119.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.665 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -139.23 156.45 72.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -56.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 10.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -165.57 68.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 10.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 155' ' ' ILE . 29.8 p -100.55 61.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 68' ' ' LEU . 4.5 pp -90.96 18.76 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.68 9.31 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -62.3 -31.39 71.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 125.61 45.57 0.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 10.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -172.39 49.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 10.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt 59.27 -87.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -132.61 94.55 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -85.82 31.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.674 HG21 ' HA ' ' A' ' 145' ' ' THR . 1.1 pt -103.17 48.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -83.54 96.67 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.61 99.6 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 10.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 74.62 -56.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 10.0 110.249 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.705 ' HA ' HD13 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -150.29 59.3 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 159' ' ' ASP . . . 2.41 -108.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 10.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.616 ' OG ' HD13 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.53 104.35 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 10.0 109.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . . . -100.31 139.59 35.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 10.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 161' ' ' SER . 33.8 m-85 -148.2 85.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 10.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.846 HD13 ' OE2' ' A' ' 89' ' ' GLU . 5.0 tp -86.92 124.82 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.658 HD13 HG12 ' A' ' 185' ' ' VAL . 1.6 mp -100.61 79.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -176.94 176.44 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 10.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.42 ' N ' ' ND1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 77.7 -4.76 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -137.78 152.35 49.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 10.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.781 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . . . 174.79 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 10.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 55.3 t0 63.12 34.67 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 171' ' ' ASP . 16.1 p-10 -73.93 101.98 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -67.26 78.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.427 ' C ' HG22 ' A' ' 174' ' ' THR . 0.3 OUTLIER -130.14 -62.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.427 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.6 OUTLIER 40.14 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.416 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.499 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.3 m-20 163.47 -52.71 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 10.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.99 -79.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 10.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.3 t -177.51 52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 10.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -63.86 -119.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.135 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 180' ' ' SER . 6.0 m-20 164.6 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.0 OUTLIER 88.13 20.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 10.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.549 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 146.98 102.75 0.31 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 10.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 173.01 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.764 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.7 ptt85 -65.78 129.83 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.984 HG12 HG23 ' A' ' 185' ' ' VAL . 0.3 OUTLIER -146.87 -43.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 184' ' ' ILE . 41.5 t -123.42 166.01 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.519 ' HA ' HD12 ' A' ' 164' ' ' ILE . 8.6 p -156.12 179.34 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.526 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 177.7 36.61 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.57 1.169 . . . . 10.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . . . -92.99 97.27 10.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 10.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 189' ' ' LEU . 6.3 tt -106.43 76.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 10.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.731 HD21 ' H ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -86.16 107.55 17.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -45.15 151.89 0.8 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.54 136.54 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 10.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -162.09 135.39 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -166.05 147.07 6.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 10.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -170.31 171.33 6.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.288 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG12 HG22 ' A' ' 36' ' ' VAL . 79.1 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.587 HG22 HG12 ' A' ' 35' ' ' VAL . 22.8 m -128.56 33.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.02 96.98 3.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -138.36 110.66 7.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 10.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -156.1 25.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 10.0 109.995 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' O ' ' CD2' ' A' ' 41' ' ' PHE . . . 60.87 -103.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 29.8 p90 44.21 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 111.047 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.64 -99.83 1.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' N ' ' HA2' ' A' ' 191' ' ' GLY . 0.2 OUTLIER -61.74 -157.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 10.0 109.571 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 177.45 133.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 10.0 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.117 HG21 ' CE2' ' A' ' 163' ' ' PHE . 1.5 t -84.4 99.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 pt20 -72.54 95.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 10.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.766 ' HG ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.85 88.23 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 53' ' ' LYS . 7.2 p -117.63 126.88 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.887 ' HA ' HG22 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -91.15 150.16 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -28.46 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.9 mt-10 -129.55 -52.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.686 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -37.53 -29.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 10.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.932 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.7 tttt 86.74 -41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 10.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 163.58 147.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 47' ' ' LEU . 2.8 m -86.82 -10.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 146.99 -95.14 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 10.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.501 ' H ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 167.43 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 10.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.672 HG12 HD11 ' A' ' 47' ' ' LEU . 10.1 mm -119.48 96.96 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 10.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 81.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 10.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -83.46 138.2 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.699 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -124.74 99.03 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.3 mp0 -34.88 127.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.461 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 22.8 t -113.83 -149.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -173.05 78.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.5 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 pt-20 -146.47 149.7 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.81 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . 36.07 -103.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 10.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.821 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -142.39 108.95 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 10.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 1.004 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.6 t70 -95.03 49.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.77 HD13 HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -91.78 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.29 102.21 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.77 HD12 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -138.31 117.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 10.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' A' ' 135' ' ' LYS . 66.6 m -157.13 85.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . -177.57 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -110.68 -10.65 14.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.738 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -130.39 120.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 10.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.686 HD21 ' HA3' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -49.07 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.7 ttt180 152.97 -44.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -74.96 64.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.45 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 10.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.818 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -64.04 175.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 10.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 1.021 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.4 m -112.85 112.44 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 10.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.021 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -138.41 133.74 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 10.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.762 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -127.54 132.74 7.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 10.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 -125.93 157.09 38.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 10.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 169.8 121.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 10.0 109.616 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CD1' HD11 ' A' ' 155' ' ' ILE . 1.5 pt -78.14 73.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -154.66 67.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -178.27 -172.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 136.91 39.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.71 117.19 4.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 10.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.93 106.82 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 10.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.0 t -145.66 100.27 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 108.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 96' ' ' PRO . 5.4 p -147.38 151.04 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 1.7 mpt_? -36.67 -55.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 10.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.725 ' HD2' HG13 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -83.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 10.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 70.52 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.46 -30.23 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 10.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.34 172.4 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 10.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.81 168.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 47.19 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -117.55 -118.73 2.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.13 . . . . 10.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . 37.06 -98.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 10.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 106' ' ' ASN . 1.9 m-85 -129.64 65.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 105' ' ' PHE . 5.1 m120 38.84 65.96 2.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 10.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.636 ' HG2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.99 70.08 5.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 10.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -44.27 -91.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 108' ' ' LEU . 0.5 OUTLIER 43.16 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.71 62.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' ASN . 5.8 mm-40 -124.67 -60.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 40.56 51.54 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -108.06 -163.19 21.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 10.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -90.6 -15.21 30.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 175.89 119.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.621 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -176.45 -58.66 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 10.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.0 Cg_endo -75.03 -157.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.787 . . . . 10.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -14.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 10.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 117' ' ' PRO . . . -178.91 -84.73 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 10.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -179.4 171.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 10.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 34.9 m170 62.5 -103.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.636 ' HB1' ' HG2' ' A' ' 107' ' ' PRO . . . -136.58 -67.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -162.8 -42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 10.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.12 125.14 51.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 10.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 125' ' ' LEU . 1.3 pp -145.02 73.27 14.71 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.5 35.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 10.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.34 70.7 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.68 59.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 10.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 130' ' ' VAL . 3.1 pt-20 -91.13 58.88 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.818 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 35.03 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 90.57 -14.81 61.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 10.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -142.68 15.65 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 10.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.26 40.23 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.53 ' CA ' ' OG ' ' A' ' 76' ' ' SER . . . 48.12 44.1 25.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 10.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 0.1 OUTLIER -82.76 79.61 9.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.2 t -113.05 100.66 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -94.32 90.37 6.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 10.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 1.044 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.3 m -74.08 104.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 1.044 HD13 ' O ' ' A' ' 138' ' ' VAL . 3.2 mm -138.12 10.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.7 mtm -156.45 158.34 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.4 OUTLIER 77.3 46.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.952 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -138.58 116.48 9.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 10.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.41 63.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.952 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 12.1 p -115.63 39.18 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.43 120.77 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.505 ' CD1' HG12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -85.52 47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -172.54 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 151' ' ' SER . 0.6 OUTLIER -42.93 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 153' ' ' LEU . . . -54.43 86.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 10.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 149' ' ' LYS . 0.2 OUTLIER 170.83 41.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 10.0 109.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.1 OUTLIER -172.61 -58.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 10.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -56.01 -17.98 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.3 p-10 -80.08 54.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 152' ' ' LYS . 34.6 pt -84.5 -22.28 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 161' ' ' SER . 4.5 pp -111.15 -40.92 4.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 156' ' ' LEU . 7.1 t70 -135.89 148.02 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 10.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.28 -15.86 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 10.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.72 -36.99 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 149.61 -110.85 0.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 10.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 156' ' ' LEU . 68.6 m -138.73 175.1 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 1.117 ' CE2' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -146.55 74.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.944 HG23 ' HA ' ' A' ' 186' ' ' CYS . 3.3 mt -85.02 133.0 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.762 HG23 ' H ' ' A' ' 84' ' ' GLY . 1.2 mp -83.55 112.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.698 ' HA ' HD11 ' A' ' 184' ' ' ILE . 30.1 p-80 -158.47 176.02 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.75 9.39 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 10.0 110.255 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 82' ' ' SER . 2.8 mm100 -96.39 175.45 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -116.28 96.54 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.99 141.2 47.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.05 98.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 172' ' ' TYR . 60.9 t80 -82.43 63.78 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' THR . 27.4 mt -127.68 -53.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 10.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 173' ' ' LEU . 0.8 OUTLIER 38.2 85.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 10.0 110.361 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.512 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.4 m-20 163.99 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.5 Cg_endo -74.97 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 10.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.8 OUTLIER 161.94 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 179' ' ' ASN . . . -73.48 -121.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 10.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.1 p30 158.03 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 10.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 77.9 p -135.0 61.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 10.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 173.39 78.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 10.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.457 ' C ' HD13 ' A' ' 184' ' ' ILE . . . 58.84 156.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 66.77 75.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.698 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -135.14 -98.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 10.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 49' ' ' ASN . 12.2 t -104.77 149.92 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 10.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.944 ' HA ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -116.65 178.21 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.87 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . 160.42 115.16 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 10.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.958 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -165.24 177.03 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 10.2 mt 63.23 80.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.495 HD23 ' HZ ' ' A' ' 163' ' ' PHE . 17.4 mt -45.54 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 60' ' ' ILE . . . -69.98 82.57 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.122 . . . . 10.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' HB3' HD21 ' A' ' 153' ' ' LEU . 12.6 p30 -109.82 177.84 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -177.85 101.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.75 128.81 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 10.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG22 ' H ' ' A' ' 37' ' ' GLU . 9.0 p -100.43 170.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 10.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.6 tp10 -124.98 -54.11 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 10.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER 37.93 87.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -116.3 177.8 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -178.63 120.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 10.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 61' ' ' LYS . 7.1 m-85 -82.45 -45.92 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.67 82.34 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 10.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m80 50.08 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 10.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 p80 179.07 122.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.646 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.2 OUTLIER -92.47 94.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -50.41 127.82 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 10.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 mt -93.6 96.13 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG23 ' C ' ' A' ' 53' ' ' LYS . 2.8 p -95.76 106.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.498 ' ND2' HD21 ' A' ' 77' ' ' LEU . 5.5 m-80 -82.62 169.39 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.8 11.08 8.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' HD23 ' A' ' 77' ' ' LEU . 22.7 mm-40 -85.26 15.68 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.69 -60.21 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 10.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.652 ' C ' HG23 ' A' ' 48' ' ' VAL . 18.9 tttm -162.34 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -147.62 141.84 26.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.879 HG11 ' HA ' ' A' ' 77' ' ' LEU . 13.2 m -122.69 -1.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -140.55 -153.72 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 10.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 175.54 168.93 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 10.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.84 HD11 HD11 ' A' ' 47' ' ' LEU . 48.8 mm -95.48 72.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.902 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.1 mt-10 -88.54 68.79 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.775 HG23 HG21 ' A' ' 70' ' ' ILE . 61.2 mt -85.22 121.19 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -124.31 94.43 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 51.4 mm-40 -34.07 128.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -98.96 -150.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -175.7 63.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.92 -72.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 40.8 mt-10 -155.4 151.19 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 10.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . 36.97 -148.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 10.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -99.22 105.75 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.52 38.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.876 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -91.18 175.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -133.32 99.94 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 10.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.921 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.8 pp -131.16 116.51 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 10.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.683 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 15.2 m -113.12 170.66 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.059 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 163.44 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' C ' HD12 ' A' ' 77' ' ' LEU . 16.8 t30 -134.07 -29.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 10.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.541 ' C ' HG21 ' A' ' 55' ' ' VAL . 3.7 t -67.33 58.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.879 ' HA ' HG11 ' A' ' 55' ' ' VAL . 4.2 mp -77.81 -71.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.569 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.01 -58.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 10.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.715 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.05 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 10.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.83 38.98 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' ' H ' ' A' ' 169' ' ' ALA . . . -82.56 175.38 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 53.9 m -84.53 136.33 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.891 ' HA ' HG23 ' A' ' 165' ' ' ILE . 2.2 mm? -118.23 59.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HD23 ' A' ' 125' ' ' LEU . . . -33.44 149.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 10.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -136.78 122.3 19.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 10.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 30.4 t-80 86.88 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -139.25 -98.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 10.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 89' ' ' GLU . 68.1 t80 -154.79 173.77 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 88' ' ' TYR . 2.0 pt-20 -73.05 91.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 10.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.61 134.52 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.26 75.62 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.72 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 10.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER 72.54 -65.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 71.9 t -38.84 142.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 94' ' ' VAL . 13.7 tpt180 85.07 100.94 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 90.92 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 10.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' GLU . 1.2 m-20 67.78 -153.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 69.45 -59.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -45.65 160.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 10.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -108.05 117.15 33.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.91 -75.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.95 -109.55 0.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 10.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.98 -123.78 25.59 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 10.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 45.1 p90 -89.28 176.5 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 106' ' ' ASN . 7.6 p-10 -134.42 108.12 11.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 10.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.91 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -28.76 3.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -152.92 -66.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 13.8 ptpt -119.4 -133.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER 174.61 -68.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 25.4 p-80 -40.33 113.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.588 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -112.64 46.71 1.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 10.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 68.29 -62.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 113' ' ' GLY . 22.3 t-20 -162.75 90.93 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.1 m-20 -156.21 175.05 3.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -75.02 -22.29 14.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 10.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.434 ' HA ' ' CE1' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -110.22 40.83 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' CA ' ' HA ' ' A' ' 112' ' ' HIS . . . -100.2 -73.51 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.107 . . . . 10.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -99.3 -5.58 29.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 10.0 109.57 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 5.6 m-70 38.01 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.622 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -132.0 39.79 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.99 3.47 9.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 10.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 122' ' ' ALA . 11.2 m-20 -77.98 162.72 26.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 167' ' ' GLU . 5.3 mp -135.28 62.56 51.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 10.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 5.3 m-20 152.83 144.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.818 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER 45.43 74.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 10.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.0 pt-20 -98.71 58.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.715 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.5 t 39.51 -151.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.604 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 75.9 -54.14 2.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 10.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 135' ' ' LYS . . . -69.81 -34.61 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.9 OUTLIER 85.11 55.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 10.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 75' ' ' ASN . . . 94.54 74.05 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -112.08 55.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 10.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -149.48 90.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 10.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 15.0 p-10 -136.99 138.05 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.6 m 50.3 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.874 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.26 100.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -84.38 135.85 34.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' MET . 12.7 t30 82.04 84.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.11 154.8 71.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -167.6 46.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.626 ' HB ' HD22 ' A' ' 68' ' ' LEU . 1.1 p -64.19 88.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 148' ' ' LYS . 1.2 m -112.75 65.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 110.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 68' ' ' LEU . 5.2 mt -37.37 -32.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 10.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER 179.73 83.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 10.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -133.11 -78.14 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -57.07 -51.01 59.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.134 . . . . 10.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.43 -60.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 0.784 . . . . 10.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 153' ' ' LEU . 45.1 mttt -149.19 164.21 35.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.64 -63.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 24.9 t-20 70.58 20.5 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -139.41 -43.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.839 ' HB2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -84.87 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' ASP . 37.6 t70 -114.05 87.63 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.777 ' O ' HD11 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 59.27 -84.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 157' ' ' ASP . 3.5 m-20 -144.37 54.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -163.33 140.16 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 10.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.911 ' O ' HD23 ' A' ' 190' ' ' LEU . 3.0 t 155.91 143.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 10.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.815 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -158.6 178.3 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 8.7 m-30 -94.32 118.47 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 10.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 165' ' ' ILE . 82.1 mt -90.5 118.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.891 HG23 ' HA ' ' A' ' 83' ' ' LEU . 1.4 mp -96.88 74.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 183' ' ' ARG . 8.0 p-80 -115.43 175.92 5.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.78 ' HB2' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER 67.54 24.29 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 10.0 110.339 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.826 ' NE2' HD21 ' A' ' 179' ' ' ASN . 2.9 pt20 -82.69 167.85 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.655 ' H ' ' HB1' ' A' ' 81' ' ' ALA . . . -68.47 -175.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -65.33 -174.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 28.4 p-10 -155.86 57.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.2 OUTLIER 67.92 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 10.0 111.019 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 173' ' ' LEU . 0.4 OUTLIER 175.89 107.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.781 HG23 ' HD2' ' A' ' 176' ' ' PRO . 0.2 OUTLIER -90.74 -46.41 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.562 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.9 OUTLIER 163.96 -55.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.781 ' HD2' HG23 ' A' ' 174' ' ' THR . 18.3 Cg_endo -74.96 -91.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 10.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 179' ' ' ASN . 0.4 OUTLIER -123.51 65.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 110.014 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' A' ' 170' ' ' ASP . . . 34.85 35.27 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.826 HD21 ' NE2' ' A' ' 168' ' ' GLN . 8.6 t30 33.75 75.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 10.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.85 40.65 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.704 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 131.01 106.71 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 10.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 161.91 133.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 10.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER -63.08 114.97 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 10.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -125.43 -42.11 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 10.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.646 HG11 ' HB ' ' A' ' 165' ' ' ILE . 10.6 p -100.62 118.03 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 10.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.89 128.96 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 10.0 108.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.646 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -112.3 -48.5 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.815 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 32.67 54.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 45' ' ' VAL . 55.2 mt -155.59 62.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 161' ' ' SER . 2.1 pp -102.81 133.35 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 110.38 -83.26 0.32 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.484 1.115 . . . . 10.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.04 152.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -93.91 132.66 38.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 173.37 111.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -118.34 -66.81 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 10.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 10.0 110.265 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 37' ' ' GLU . 6.0 p -163.23 176.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 10.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.646 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.6 mt-10 -141.16 179.7 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -145.86 169.96 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.7 m 75.08 141.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.885 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . 168.3 98.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 10.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -133.16 107.61 8.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 10.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.91 -152.28 7.12 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -72.57 -160.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 10.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.65 95.44 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.617 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 17.6 m -132.68 113.3 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -97.47 91.94 5.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 58' ' ' ILE . 3.8 mt -89.0 84.42 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.93 121.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 10.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 1.081 ' ND2' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.04 107.14 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.54 -94.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 10.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -143.24 -11.47 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -24.79 -57.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 11.4 tptt 172.52 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 10.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . 83.48 153.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.057 HG23 ' HB1' ' A' ' 74' ' ' ALA . 15.4 m -84.58 -32.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.6 -115.31 0.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -170.13 174.45 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 10.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.005 HG23 HG22 ' A' ' 72' ' ' ILE . 21.0 mm -114.13 119.36 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.885 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 31.9 mm-40 -149.22 85.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.918 ' CG2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -100.07 175.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -140.3 109.3 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 10.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.721 ' CB ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -32.33 144.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 10.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -132.36 -149.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 10.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -150.77 66.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.26 -70.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.7 tt0 -145.06 -154.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.29 130.12 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 10.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.848 ' O ' HD11 ' A' ' 147' ' ' LEU . 4.9 mp -85.5 84.13 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.658 ' HA ' HG21 ' A' ' 60' ' ' ILE . 7.3 m-20 -160.42 52.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 70' ' ' ILE . 20.4 mm -84.25 56.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.3 m170 154.97 59.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HG23 ' A' ' 58' ' ' ILE . 1.8 pp -114.51 68.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 10.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 48.2 p -83.04 176.19 9.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.057 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 88.47 57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.768 ' CG ' HD13 ' A' ' 128' ' ' LEU . 2.1 m-20 -121.81 -15.73 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' GLY . 0.4 OUTLIER -145.67 108.11 4.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 10.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.081 HD21 ' ND2' ' A' ' 49' ' ' ASN . 1.2 mp -49.46 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 161.11 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.05 58.84 5.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 10.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 34.11 70.33 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -103.61 175.99 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 10.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.617 ' C ' HD13 ' A' ' 83' ' ' LEU . 16.6 m -121.03 126.11 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.744 HD12 HG21 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -114.7 138.58 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.61 -155.1 24.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 10.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 15.5 p90 -177.77 97.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER 177.02 116.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 109.589 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 161' ' ' SER . 1.1 tp -81.2 149.52 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -84.27 170.05 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 10.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -114.42 -17.71 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 10.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -105.24 27.62 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 94' ' ' VAL . . . 70.77 160.11 3.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 10.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -83.92 98.18 9.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 10.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.3 m 52.07 64.45 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 108.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.567 HG21 HD22 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -148.65 115.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 63.31 86.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 10.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 10.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -175.13 61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 22.3 p90 -127.46 78.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.16 59.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 10.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.5 m 59.0 104.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 10.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.09 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -81.25 -120.95 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.1 . . . . 10.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.19 178.52 52.43 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -166.77 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 10.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.52 124.69 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.55 107.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 10.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 10.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -153.3 -69.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -167.29 50.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 10.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.419 ' OE1' ' CG ' ' A' ' 118' ' ' MET . 14.5 mt-10 -42.41 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.65 152.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 10.0 109.635 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.31 132.09 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 10.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -52.16 -38.83 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.46 73.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 10.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.27 172.13 3.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 10.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.85 8.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 10.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.419 ' CG ' ' OE1' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -96.54 -25.97 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.994 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 118' ' ' MET . . . 53.79 -164.18 2.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 10.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.463 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 3.9 p-80 -92.78 -99.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 10.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.463 ' H ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -115.68 174.47 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 109.622 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.09 46.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -73.97 5.81 23.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 68.08 111.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . 1.2 pp -84.27 113.61 49.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 128' ' ' LEU . 18.1 Cg_endo -75.05 163.16 35.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.408 1.741 . . . . 10.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.423 ' C ' HD23 ' A' ' 128' ' ' LEU . 87.0 m-20 -87.45 67.29 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 10.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 75' ' ' ASN . 1.1 mt -109.59 58.33 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 10.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -84.97 92.38 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 81' ' ' ALA . 79.3 t -32.1 140.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 10.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.08 -32.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 10.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -112.37 -62.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 10.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 149.6 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 10.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' SER . . . 72.61 62.79 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -82.57 59.34 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 10.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.576 HG21 HD22 ' A' ' 75' ' ' ASN . 1.9 t -134.14 126.48 49.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.877 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -168.48 56.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 137' ' ' ASP . 2.3 t -167.79 166.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -134.28 76.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 10.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 19.05 3.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -170.66 83.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 10.0 109.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.77 123.09 18.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 10.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -178.77 61.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.6 p -94.97 64.35 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 152' ' ' LYS . 9.9 m -87.45 117.08 26.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 10.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.848 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -112.9 48.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 10.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -128.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 150' ' ' GLY . 0.2 OUTLIER -116.07 84.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 10.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 149' ' ' LYS . . . 37.92 92.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 10.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.38 -49.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 10.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 146' ' ' SER . 40.2 mmtt -88.29 -27.55 21.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 10.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -81.79 54.22 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.78 10.48 15.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 10.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.679 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.01 -31.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.679 HD23 ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -124.55 58.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 153' ' ' LEU . 3.6 t0 -133.9 -87.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 157' ' ' ASP . 0.8 OUTLIER -55.16 -29.17 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.46 47.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 10.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . -112.83 -155.3 12.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.134 . . . . 10.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.6 t 158.19 171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 10.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -83.4 174.9 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.36 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 165' ' ' ILE . 6.6 pt -122.44 139.8 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 165' ' ' ILE . 2.6 mp -117.53 94.28 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 1.1 p80 -144.36 177.7 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' CG ' ' A' ' 168' ' ' GLN . 0.2 OUTLIER 76.54 -0.16 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -153.07 173.05 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.571 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 68.66 87.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -93.89 174.2 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 10.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.456 ' HB3' HD12 ' A' ' 173' ' ' LEU . 7.5 t70 -167.23 178.43 5.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 10.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -71.32 60.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 171' ' ' ASP . 0.4 OUTLIER -129.66 -46.65 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 10.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.431 ' CG2' ' C ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER 40.52 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 110.412 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 171.85 163.41 0.25 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 10.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.03 53.91 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 10.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 158.47 45.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -124.68 -57.03 0.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 10.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.1 t-20 170.05 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.4 t 81.44 42.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . -158.16 102.43 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 52.83 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 10.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.53 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 8.4 mtm-85 -50.76 126.92 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 10.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.544 ' CD1' HG12 ' A' ' 185' ' ' VAL . 2.5 pp -127.73 -42.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 165' ' ' ILE . 4.3 p -119.82 134.17 64.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 10.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.481 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -155.61 143.56 19.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 108.312 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 188' ' ' ALA . . . -90.64 -118.69 2.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 172.11 83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.2 OUTLIER -135.71 105.86 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.567 HD22 HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.61 16.52 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 94.19 -112.9 4.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 10.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -106.54 154.15 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -138.86 155.16 48.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 10.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 10.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -146.02 -64.75 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 10.0 110.295 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 35' ' ' VAL . 66.7 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.81 97.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -151.86 170.28 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 10.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.2 t -86.45 169.59 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 10.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -59.81 -58.07 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 10.0 110.021 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 177.57 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 10.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 68.5 t80 -166.53 172.16 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 83.62 146.2 6.85 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 10.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.429 ' N ' ' H ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -61.01 178.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 10.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 5.5 p80 -176.65 152.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 10.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.562 HG21 ' HA2' ' A' ' 187' ' ' GLY . 12.5 p -99.01 118.82 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -67.23 99.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 45' ' ' VAL . 14.4 mt -84.76 88.48 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 10.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 185' ' ' VAL . 9.4 p -114.71 139.99 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -110.74 164.37 12.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -54.88 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.4 mm-40 -108.01 -47.71 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . -28.98 -47.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 10.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 87.05 -29.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 10.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.35 162.55 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 10.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 HD21 ' A' ' 77' ' ' LEU . 31.5 m -151.49 20.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.33 -151.01 17.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 10.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 p90 -178.82 175.21 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 10.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' HIS . 7.1 mm -116.94 96.81 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 2.5 mt-10 -138.19 121.64 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 10.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 147' ' ' LEU . 2.7 mt -109.18 142.33 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -117.98 85.24 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 10.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.82 124.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -147.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -156.13 63.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -135.8 -166.7 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.86 139.0 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 10.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.628 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -86.17 96.48 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 10.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.543 ' HB3' HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -161.84 49.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.708 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 14.0 mm -87.21 53.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.708 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 m170 149.58 57.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 HG22 ' A' ' 138' ' ' VAL . 2.0 pp -118.35 57.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.42 176.72 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' C ' ' ND2' ' A' ' 75' ' ' ASN . . . -147.09 57.71 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.868 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.44 151.26 24.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.649 ' H ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER 166.31 55.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 109.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.835 HD22 ' CB ' ' A' ' 81' ' ' ALA . 2.8 mp -107.79 -96.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.661 ' N ' HG11 ' A' ' 130' ' ' VAL . 1.5 mtt180 160.22 -50.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 10.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.0 Cg_endo -75.04 52.62 3.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 10.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 32.23 38.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 10.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.835 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -63.19 159.96 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.85 ' C ' HD13 ' A' ' 83' ' ' LEU . 10.2 m -100.51 128.07 46.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 10.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.997 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -122.34 92.05 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.28 128.42 44.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 10.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 86' ' ' HIS . 2.1 t80 -125.63 170.61 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 173.21 174.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.581 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 155' ' ' ILE . 17.5 mm -95.6 -39.23 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 24.7 p90 -151.99 152.15 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -82.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.57 48.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.18 165.67 41.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 10.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.721 ' HB2' ' HB1' ' A' ' 188' ' ' ALA . 3.1 t -84.82 125.17 32.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 127.51 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 95' ' ' ARG . 7.5 p -159.36 -49.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 10.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 94' ' ' VAL . 37.2 mmt180 -65.73 157.26 80.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 121.22 6.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 128.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' SER . 3.4 t80 -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 10.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.9 80.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 10.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' PHE . 80.7 p -177.08 151.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.47 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.75 -105.83 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.446 1.091 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.5 -173.77 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 10.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.37 164.96 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 10.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.22 162.49 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.21 24.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -42.6 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -92.59 74.68 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.6 pttp -110.64 -133.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER 171.0 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.553 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -44.89 109.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 10.0 109.636 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -140.24 101.91 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 58.07 -83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 10.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 113' ' ' GLY . 5.0 m-80 -175.76 83.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.41 168.04 10.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.0 19.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 10.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.3 ptm -106.64 -19.67 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.57 110.34 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 10.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.577 ' CE1' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER 170.13 161.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 10.0 109.618 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.577 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -119.27 -176.89 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.561 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -140.32 50.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -73.27 4.43 25.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.147 . . . . 10.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.01 123.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 10.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.41 130.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 125' ' ' LEU . 18.1 Cg_endo -75.02 170.95 19.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 10.0 110.983 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -92.96 59.85 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 136' ' ' VAL . 4.7 mt -129.47 59.06 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 4.0 pt-20 -94.85 62.56 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.661 HG11 ' N ' ' A' ' 78' ' ' ARG . 1.5 t 38.56 -147.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.542 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 86.83 -66.57 3.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 10.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -65.33 -38.72 90.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.584 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 9.5 m-20 149.41 -14.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.515 ' O ' ' O ' ' A' ' 75' ' ' ASN . . . 87.25 19.55 54.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 10.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -114.93 83.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 10.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 128' ' ' LEU . 0.9 OUTLIER -110.77 117.19 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.24 128.72 54.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 10.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.966 HG22 HD11 ' A' ' 72' ' ' ILE . 2.6 m -111.89 107.88 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -141.48 35.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 141' ' ' ASN . 3.4 ptt? -100.88 126.79 47.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 140' ' ' MET . 1.8 t30 41.28 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.76 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -111.46 145.82 33.36 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.05 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 10.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.91 59.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.76 HG23 ' HB1' ' A' ' 142' ' ' ALA . 46.0 p -53.61 96.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 10.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.6 OUTLIER -110.15 70.46 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 10.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 153' ' ' LEU . 16.4 mt -37.41 -49.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.577 ' HB3' HD23 ' A' ' 153' ' ' LEU . 0.0 OUTLIER 35.45 -156.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -114.18 -31.56 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.649 ' N ' HD21 ' A' ' 153' ' ' LEU . . . 163.75 78.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 150' ' ' GLY . 47.8 t 177.29 -62.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 10.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' LEU . 14.4 mmtt -67.81 -50.22 58.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -38.33 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 12.8 t30 66.16 10.6 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.24 -24.92 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 155' ' ' ILE . 2.7 mm? -86.57 -162.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 159' ' ' ASP . 19.7 t70 -85.39 74.78 10.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 64.06 -78.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 10.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 157' ' ' ASP . 2.7 p-10 -141.9 50.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 156' ' ' LEU . . . -170.62 -136.97 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 10.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.554 ' OG ' ' CZ ' ' A' ' 163' ' ' PHE . 0.1 OUTLIER -162.0 -171.13 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 10.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -148.83 109.18 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 21.5 m-85 -148.21 81.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.2 pt -92.22 125.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 10.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.997 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -118.53 71.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 10.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 4.0 p-80 -136.7 176.9 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 80.05 -11.45 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 10.0 110.334 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 37.0 mm-40 -142.37 176.07 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . 58.92 -173.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 5.3 t0 80.36 146.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -173.43 59.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.593 ' HB3' HD23 ' A' ' 173' ' ' LEU . 0.9 OUTLIER -82.89 -59.89 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 172' ' ' TYR . 0.2 OUTLIER -102.54 -39.7 6.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 10.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 2.4 t 38.84 57.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 10.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -64.25 -51.31 62.54 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.01 -68.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 6.2 t -171.56 41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 10.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 128.76 124.04 2.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 10.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 180' ' ' SER . 16.5 t-20 -42.83 -47.87 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER 83.94 -10.99 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 10.0 109.969 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 64.52 -74.1 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 184' ' ' ILE . . . 58.21 113.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 182' ' ' ALA . 10.6 ttm180 33.24 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.781 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -135.57 -57.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.781 ' N ' HD12 ' A' ' 184' ' ' ILE . 9.5 p -104.05 154.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 144.3 21.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 108.34 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -101.96 -115.73 4.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 10.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.721 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . 75.53 175.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 10.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 190' ' ' LEU . 5.7 mt 65.54 67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp -38.33 133.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.434 ' O ' ' ND2' ' A' ' 192' ' ' ASN . . . -57.33 -160.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 191' ' ' GLY . 8.6 m-80 76.65 155.9 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -173.46 117.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 10.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.67 169.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 10.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 149.44 49.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 10.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 10.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 35' ' ' VAL . 61.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -171.71 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -170.04 164.33 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 p -136.41 -179.91 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 10.0 110.374 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 34.7 m -68.18 -74.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 71.96 115.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -47.75 -72.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 10.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.81 102.28 1.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.119 . . . . 10.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -97.1 100.1 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 10.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -144.72 57.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 10.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 187' ' ' GLY . 3.6 t -142.25 76.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.58 106.41 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 10.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HG13 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -101.21 87.12 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 53' ' ' LYS . 5.7 t -125.39 100.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 10.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.798 HD21 HD21 ' A' ' 77' ' ' LEU . 18.5 p30 -84.93 170.65 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -91.37 37.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.759 ' OE2' ' HB1' ' A' ' 169' ' ' ALA . 91.8 mt-10 -114.32 -77.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.26 -73.97 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 10.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -169.06 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 10.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -167.56 146.17 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.461 HG12 HD11 ' A' ' 77' ' ' LEU . 11.4 m -84.92 -21.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.41 -129.14 2.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.73 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -172.34 160.84 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 10.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.807 ' CG1' HG11 ' A' ' 45' ' ' VAL . 21.2 mm -122.85 122.93 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.5 mt-10 -129.66 125.29 35.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.37 145.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -176.07 56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.64 ' H ' HD11 ' A' ' 147' ' ' LEU . 1.2 pt-20 -32.45 121.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 10.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -55.19 -56.02 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 10.0 109.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.72 -49.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.3 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 10.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -97.28 174.83 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' HA2' HG23 ' A' ' 70' ' ' ILE . . . -57.47 84.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 10.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.712 ' C ' HG22 ' A' ' 139' ' ' ILE . 1.7 mm? -114.86 -14.7 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 10.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 6.1 t70 -156.91 24.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -85.02 146.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CD2' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -127.76 68.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 60' ' ' ILE . 1.2 pp -105.76 68.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 10.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.43 ' HB2' ' N ' ' A' ' 136' ' ' VAL . 27.8 p -147.85 151.96 36.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -115.38 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -12.32 30.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.4 t 59.36 57.78 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 49' ' ' ASN . 1.1 mt 46.01 -92.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 157.76 -51.21 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 10.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 88.98 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.73 68.26 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 10.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 76' ' ' SER . . . -67.88 159.53 30.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 10.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 168' ' ' GLN . 50.6 m -132.28 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 10.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -92.43 137.54 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.81 -44.44 7.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' A' ' 128' ' ' LEU . 0.5 OUTLIER 60.69 173.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 10.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.473 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.4 OUTLIER 59.32 106.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -150.58 152.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 87' ' ' ILE . 15.0 m-85 -160.55 58.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 10.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER 167.11 47.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 10.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 164' ' ' ILE . 12.1 mmmt -139.83 148.99 42.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 10.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.595 ' HA2' ' HB1' ' A' ' 188' ' ' ALA . . . 175.5 -38.7 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 10.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -85.92 99.61 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 10.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.431 ' C ' HG12 ' A' ' 94' ' ' VAL . 6.6 m -109.59 156.73 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 10.0 108.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 94' ' ' VAL . 4.1 p 41.43 43.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -145.09 146.14 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.76 135.69 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -141.17 77.18 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.64 -75.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 10.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.7 t -165.7 94.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.3 -45.33 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.06 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 10.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.91 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 10.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.27 144.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 10.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 177.73 148.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 10.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.93 -55.79 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 10.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -116.42 82.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 65.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.04 -176.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.8 OUTLIER 67.97 85.0 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.609 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . -116.3 64.72 0.33 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 10.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 0.2 OUTLIER 70.35 -60.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 10.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.75 99.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.376 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLY . 1.2 t-20 -136.14 165.76 33.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.79 7.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 10.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.33 -4.34 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' ASN . . . -174.04 140.27 5.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -135.41 -47.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 10.0 109.605 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -119.89 158.2 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 10.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.32 7.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 10.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 174.52 -34.82 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 10.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.84 153.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mt -124.38 155.05 69.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -74.96 170.41 20.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.46 66.1 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -136.31 62.47 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 10.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.492 ' C ' ' CG1' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -153.35 64.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 10.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.9 OUTLIER -153.64 -156.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 10.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.863 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -48.75 -85.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 10.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.24 38.18 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 10.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -72.33 -17.84 61.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -85.43 -1.55 87.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 10.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 58.03 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 10.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.4 t -108.98 91.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 71' ' ' HIS . 3.3 m-20 -109.77 116.79 32.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 10.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.9 m -91.66 93.22 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.712 HG22 ' C ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.25 8.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.55 107.4 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 69.85 55.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.6 173.11 7.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 10.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -75.08 -42.44 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 1.4 m-20 154.74 69.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 10.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 17.9 p -76.94 54.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 152' ' ' LYS . 4.5 m -76.85 112.83 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -118.9 20.45 12.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 50.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 10.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 151' ' ' SER . 19.2 mmtt -152.67 -95.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -67.95 64.66 0.34 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 10.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 149' ' ' LYS . 5.0 t 77.12 59.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 10.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.447 ' HG2' HD23 ' A' ' 153' ' ' LEU . 4.9 ttmt 51.54 -96.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.664 ' HB2' HD11 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -135.85 89.83 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -107.63 30.34 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -7.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.09 -163.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.515 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.55 176.53 8.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 10.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -25.5 26.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 10.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.54 -52.24 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 166.07 -141.67 7.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.152 . . . . 10.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.1 p 158.6 144.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 10.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -158.41 175.45 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 10.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.655 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 61.6 m-85 -83.18 95.63 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 10.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 166' ' ' HIS . 1.8 mp -84.32 144.62 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 83' ' ' LEU . 1.3 mp -116.25 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.872 ' CE1' HG21 ' A' ' 164' ' ' ILE . 0.3 OUTLIER -147.4 173.79 12.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 10.0 109.616 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 79.4 -25.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 10.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 5.6 mt-30 -131.5 161.57 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.759 ' HB1' ' OE2' ' A' ' 51' ' ' GLU . . . -141.31 -90.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.78 37.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.27 -76.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -165.43 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.714 HD21 ' HG3' ' A' ' 176' ' ' PRO . 3.4 tp -98.87 -51.53 3.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.468 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.3 OUTLIER 42.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.567 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.5 OUTLIER 176.09 -55.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.714 ' HG3' HD21 ' A' ' 173' ' ' LEU . 18.1 Cg_endo -75.04 -84.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 10.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -43.92 66.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 52.65 103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 10.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -94.06 32.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 10.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.755 ' HA ' ' HB2' ' A' ' 169' ' ' ALA . 15.5 p -95.67 49.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 184' ' ' ILE . . . -119.84 95.59 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 10.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 166' ' ' HIS . . . -36.28 154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.6 OUTLIER 79.92 58.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.355 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.822 HG12 HG12 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -130.45 -44.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.822 HG12 HG12 ' A' ' 184' ' ' ILE . 0.7 OUTLIER -135.61 144.76 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 10.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.411 ' HA ' HG23 ' A' ' 164' ' ' ILE . 1.6 p -156.47 137.13 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 108.329 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 1.019 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -114.95 13.97 19.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.595 ' HB1' ' HA2' ' A' ' 91' ' ' GLY . . . -49.21 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 10.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' A' ' 91' ' ' GLY . 11.7 mt 57.51 60.93 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 10.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.751 HD23 HG21 ' A' ' 45' ' ' VAL . 29.2 mt -39.77 -32.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 189' ' ' LEU . . . -140.25 -148.56 5.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 10.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 9.3 t30 175.59 -58.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -51.59 167.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 10.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 -68.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 10.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.44 89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 10.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' H ' ' A' ' 36' ' ' VAL . 5.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' H ' HG23 ' A' ' 35' ' ' VAL . 3.2 p -168.9 120.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.762 ' O ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -173.84 144.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 37' ' ' GLU . 14.7 t 50.82 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.622 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER 177.69 85.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 110.013 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 78.63 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.0 p90 -68.62 59.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -36.87 -68.74 0.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -43.72 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 10.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -170.8 160.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 10.0 109.588 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.982 HG11 ' HA2' ' A' ' 187' ' ' GLY . 42.9 t -140.17 138.67 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 10.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.24 105.41 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 10.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -83.41 96.89 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.608 ' N ' HG21 ' A' ' 185' ' ' VAL . 1.1 t -103.82 122.75 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.996 ' ND2' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.93 166.94 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -60.66 -51.3 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 10.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -118.83 -37.21 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -46.8 -35.11 7.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 10.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.8 tptt 91.94 -22.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 10.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . 179.45 141.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 10.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.996 HG12 ' ND2' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -106.34 21.91 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 116.71 -138.91 14.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 47' ' ' LEU . 5.3 p90 -157.76 160.41 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 10.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.82 HD11 HD21 ' A' ' 47' ' ' LEU . 17.9 mm -105.88 137.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 41' ' ' PHE . 24.8 mt-10 -149.56 70.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.932 HG23 HG21 ' A' ' 70' ' ' ILE . 63.3 mt -87.66 106.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -105.89 84.66 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.6 mp0 -30.84 127.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 10.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 13.1 t -103.34 -148.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.29 77.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.95 -82.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 10.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -155.59 157.0 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 145' ' ' THR . . . 42.17 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.882 HD23 ' OG1' ' A' ' 145' ' ' THR . 4.4 pp -153.5 159.35 42.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 139' ' ' ILE . 12.2 t0 -156.97 39.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.932 HG21 HG23 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -84.52 172.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -114.94 66.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.9 121.88 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -80.3 176.42 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.03 -10.26 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 130' ' ' VAL . 29.1 t 45.82 56.79 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 10.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.824 ' CD1' HD11 ' A' ' 83' ' ' LEU . 11.1 mt 39.61 -86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 162.11 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.99 58.82 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 10.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.47 57.75 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.555 1.159 . . . . 10.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -94.13 155.9 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 168' ' ' GLN . 63.3 m -83.07 92.33 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 10.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.824 HD11 ' CD1' ' A' ' 77' ' ' LEU . 2.5 mm? -98.56 87.71 3.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.88 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 148.53 168.58 14.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 10.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' HIS . 1.4 t80 177.17 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 10.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' PHE . 12.5 t-80 58.13 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 10.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.761 HG23 ' N ' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -61.76 -158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.761 ' N ' HG23 ' A' ' 87' ' ' ILE . 2.9 p90 -86.19 175.12 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.11 -55.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 10.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 99.4 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.24 163.8 6.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 10.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -96.24 -154.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 m -96.86 85.6 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 108.302 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.09 30.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 10.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.54 146.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 10.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -173.76 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.03 108.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.3 175.44 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 10.0 110.25 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.93 -63.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.31 -75.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.96 -109.55 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 10.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.71 83.97 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 10.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.46 100.13 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 179.55 152.55 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.96 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 10.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.06 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -149.29 102.63 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -11.65 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 10.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.19 -74.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 10.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 60.63 52.93 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.56 -112.08 4.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 10.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 3.3 t80 56.4 34.19 23.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 10.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 38.8 t30 83.31 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 10.0 109.262 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.78 171.07 4.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.48 9.2 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 10.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -36.62 14.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 53.17 91.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 10.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 62.88 148.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 10.0 109.558 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.82 -162.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -158.38 51.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -67.95 -2.4 23.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 10.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.49 159.49 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 126' ' ' PRO . 1.0 OUTLIER -147.53 143.76 18.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 10.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.82 59.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.41 ' CD2' ' HB ' ' A' ' 136' ' ' VAL . 16.4 mt -146.47 65.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 10.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.3 pt-20 -84.0 56.55 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 76' ' ' SER . 1.5 t 31.65 -144.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 89.96 -36.18 3.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 10.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -125.2 3.58 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 76.9 65.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 10.0 109.364 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.512 ' N ' ' CB ' ' A' ' 76' ' ' SER . . . 40.69 26.95 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' ASP . 12.4 mtpt -88.83 62.97 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 10.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -112.38 161.61 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 0.8 OUTLIER -139.53 89.96 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 10.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 9.8 m -80.08 117.09 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 69' ' ' ASP . 32.0 mm -114.0 -116.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.547 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -81.92 101.93 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 10.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.93 40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 10.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -115.79 166.8 11.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 10.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -158.35 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.882 ' OG1' HD23 ' A' ' 68' ' ' LEU . 15.5 p -117.99 48.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 10.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 145' ' ' THR . 3.2 pp -95.2 39.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -75.61 -139.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 153.95 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 10.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 92.62 -45.96 2.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 153' ' ' LEU . 0.1 OUTLIER -106.92 -8.06 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 10.0 110.033 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.458 ' O ' ' CA ' ' A' ' 147' ' ' LEU . 19.8 mttm 63.07 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 10.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -113.08 -18.9 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 10.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 2.4 t30 68.17 2.53 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.38 45.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 105.0 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' GLU . 4.7 t70 -83.63 175.38 9.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' ASP . 4.2 mt-10 -37.38 -58.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 189' ' ' LEU . 9.2 m-20 -85.74 -54.75 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 174.79 -122.66 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 10.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.568 ' O ' HD11 ' A' ' 190' ' ' LEU . 2.3 p 157.36 131.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 10.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.897 ' HB3' ' H ' ' A' ' 188' ' ' ALA . . . -156.68 -179.73 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -82.31 118.23 22.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.0 mp -84.22 136.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.88 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.4 mp -121.4 118.95 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 13.7 p-80 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 10.0 109.579 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.41 25.06 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 10.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.432 ' HG3' ' CB ' ' A' ' 180' ' ' SER . 0.8 OUTLIER -81.42 176.96 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 10.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -133.46 -177.08 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.06 127.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -174.72 -175.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -55.45 -56.2 22.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 10.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.82 -46.61 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 8.2 t 39.39 41.55 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 10.0 110.441 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.515 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.9 OUTLIER -69.24 -51.8 16.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 10.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.02 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 10.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.8 44.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 10.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 75.27 36.33 45.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 10.0 111.042 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 7.7 m120 41.16 70.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 168' ' ' GLN . 0.1 OUTLIER -175.16 73.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.66 25.73 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 10.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -178.3 175.58 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 10.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 4.0 mtp180 -57.66 124.26 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.694 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -119.41 -72.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.694 ' N ' HG22 ' A' ' 184' ' ' ILE . 6.4 p -99.97 139.73 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 28.0 p -158.41 153.17 24.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 10.0 108.317 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.982 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -108.12 -74.98 0.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 10.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.897 ' H ' ' HB3' ' A' ' 162' ' ' ALA . . . 25.5 53.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 10.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.595 HD23 ' HB3' ' A' ' 159' ' ' ASP . 77.7 mt -158.66 59.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 153' ' ' LEU . 28.8 mt -81.17 -145.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -68.6 -175.93 11.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 10.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.17 -60.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 10.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -51.59 111.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 195' ' ' LYS . 0.1 OUTLIER -161.12 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 10.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 194' ' ' GLU . 9.7 tttt 81.41 130.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 10.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 10.0 110.293 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.7 148.14 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 10.0 109.352 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -123.27 178.46 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 37' ' ' GLU . 67.6 p -151.95 -176.56 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 10.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 16.2 m -98.15 -76.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 81.57 110.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 10.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.84 97.3 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.31 -169.79 14.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 18.2 t-160 -106.07 -84.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -167.42 85.11 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 10.0 109.566 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.686 HG11 ' H ' ' A' ' 189' ' ' LEU . 19.4 m -139.51 96.0 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.67 112.65 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -83.83 82.29 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 185' ' ' VAL . 54.4 t -110.25 130.35 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.485 HD21 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.72 164.25 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 10.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 179' ' ' ASN . 60.4 mtt180 -84.33 46.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 10.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -124.16 -57.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.19 -77.85 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -173.0 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.917 HG11 ' O ' ' A' ' 75' ' ' ASN . 6.0 m -85.42 -24.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 10.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' HA3' ' CB ' ' A' ' 74' ' ' ALA . . . 154.23 -109.5 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 10.0 111.035 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CD2' ' CG ' ' A' ' 59' ' ' GLU . 13.4 t80 -175.2 156.62 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 10.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 mm -90.04 97.13 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 57' ' ' PHE . 25.5 mt-10 -111.47 69.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.561 HD11 HD22 ' A' ' 190' ' ' LEU . 11.5 pt -82.95 150.47 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -134.28 112.97 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -28.48 140.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -80.34 -171.24 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.94 30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.77 -76.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -153.47 173.47 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 10.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.12 -142.86 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -110.76 105.56 14.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 10.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 9.5 t70 -95.28 41.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.976 ' O ' HG12 ' A' ' 138' ' ' VAL . 1.5 pp -83.67 175.55 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -131.67 101.16 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 10.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.557 HG21 HG23 ' A' ' 60' ' ' ILE . 2.3 pp -135.14 134.09 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.79 63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' CB ' ' H ' ' A' ' 57' ' ' PHE . . . -153.07 104.36 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 10.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.917 ' O ' HG11 ' A' ' 55' ' ' VAL . 60.1 m-80 -156.78 -39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.972 ' OG ' HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -151.08 109.75 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.994 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 52.6 mt -76.49 42.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.822 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 67.56 40.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 110.242 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.822 ' HD3' ' N ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -74.96 -32.04 5.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' H ' HG21 ' A' ' 130' ' ' VAL . . . 98.51 43.08 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 130' ' ' VAL . . . -136.45 179.4 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.779 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.6 m -81.39 159.91 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.972 HD11 ' OG ' ' A' ' 76' ' ' SER . 2.3 mm? -131.72 106.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' N ' ' NE2' ' A' ' 168' ' ' GLN . . . -85.96 106.3 3.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 72' ' ' ILE . 2.9 t80 -128.97 67.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 10.0 111.034 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.75 146.29 30.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.556 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.545 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.78 120.51 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 10.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 t80 -154.6 94.61 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 10.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 12.0 pt-20 38.5 53.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -133.23 170.5 15.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 10.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.19 140.78 2.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' CYS . 0.0 OUTLIER -154.22 -171.57 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' SER . 3.8 m 87.59 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 94' ' ' VAL . 58.4 t -110.45 50.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 8.1 mmt180 -155.83 102.23 2.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 10.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -170.07 146.47 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 10.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -138.85 43.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -91.51 166.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 10.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 106.98 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 10.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.76 82.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.84 159.3 8.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 10.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.13 -145.89 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.413 ' HA ' ' HA3' ' A' ' 123' ' ' GLY . 18.2 Cg_endo -75.02 -169.36 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -154.12 92.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.516 ' O ' HD12 ' A' ' 108' ' ' LEU . 3.7 m120 -142.92 134.9 13.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 4.21 4.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 10.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 106' ' ' ASN . 1.4 mp 43.81 78.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -117.49 -54.63 2.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 10.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.8 28.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.84 -159.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.5 t60 60.66 22.75 12.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.601 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.22 32.44 1.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 10.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 t80 46.67 87.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.18 -38.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.4 OUTLIER 168.28 -53.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.1 Cg_endo -75.01 108.58 2.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 10.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.571 ' HB2' ' CD2' ' A' ' 121' ' ' HIS . 0.1 OUTLIER 35.76 43.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 120' ' ' HIS . . . -34.69 128.59 0.6 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' A' ' 119' ' ' GLY . 1.7 t-80 83.22 -54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 10.0 109.639 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 118' ' ' MET . 0.2 OUTLIER 69.79 -65.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.64 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 120' ' ' HIS . . . 61.78 34.27 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 10.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 70.01 7.52 59.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 10.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 23.2 t0 80.82 126.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 10.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.16 156.63 50.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.575 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.4 Cg_endo -75.02 68.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 126' ' ' PRO . 51.8 m-20 36.91 58.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 136' ' ' VAL . 14.6 mt -120.91 60.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.578 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.4 pt-20 -84.73 52.1 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 10.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' HB3' ' A' ' 76' ' ' SER . 4.1 p 25.23 -142.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 76.63 -53.6 3.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -71.19 -69.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.0 OUTLIER 154.94 51.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 10.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 45.53 40.72 8.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 10.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 96.81 8.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -109.42 59.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 138' ' ' VAL . 18.5 p-10 -56.2 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.976 HG12 ' O ' ' A' ' 70' ' ' ILE . 14.1 m 50.42 175.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -136.81 136.77 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 10.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 141' ' ' ASN . 4.2 mmt -124.52 93.74 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 140' ' ' MET . 13.9 t-20 163.29 64.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.5 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -154.73 145.55 16.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.38 50.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.5 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 6.1 p -85.19 70.84 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 118.69 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -99.33 54.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 152' ' ' LYS . 0.5 OUTLIER -81.11 -115.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 10.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -92.91 173.58 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 10.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -70.97 93.82 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.65 -33.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 10.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.421 ' HB2' ' CE ' ' A' ' 148' ' ' LYS . 2.2 mmtt -97.02 -33.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.5 pp -79.99 49.09 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.33 18.15 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.837 HD13 HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -108.24 -21.4 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 155' ' ' ILE . 5.3 mt -83.98 -138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 160' ' ' GLY . 4.0 t70 -102.0 99.28 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 53.52 -95.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.473 ' O ' ' CA ' ' A' ' 191' ' ' GLY . 2.1 m-20 -119.68 -4.54 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -122.48 -161.9 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.56 -169.25 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 10.0 109.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -155.5 107.98 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.659 ' CD1' ' HB1' ' A' ' 188' ' ' ALA . 19.0 p90 -157.25 60.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.84 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 10.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG11 ' A' ' 185' ' ' VAL . 2.2 mp -107.08 77.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.414 ' O ' ' OE1' ' A' ' 168' ' ' GLN . 2.1 p80 -129.14 176.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 10.0 109.637 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 168' ' ' GLN . 4.2 mt-10 61.49 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 10.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.46 ' NE2' ' N ' ' A' ' 84' ' ' GLY . 1.7 mm100 -94.27 175.7 6.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.65 -172.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 180' ' ' SER . 9.3 p-10 -107.4 -173.5 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' ' ND2' ' A' ' 179' ' ' ASN . 6.8 p-10 -125.81 33.66 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 66.25 31.89 8.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 7.3 tp -138.64 79.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.472 ' CB ' ' HA2' ' A' ' 178' ' ' GLY . 7.0 t -103.67 51.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.4 OUTLIER -58.49 -51.91 78.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.95 -81.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 10.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 89.0 p -145.51 24.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' HA2' ' CB ' ' A' ' 174' ' ' THR . . . 88.62 125.23 2.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 10.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 173' ' ' LEU . 1.2 m-20 -83.31 53.83 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 170' ' ' ASP . 89.4 p -154.17 73.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 10.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.99 133.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 10.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 71.93 175.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 10.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 137.74 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.1 pp -134.6 -45.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.708 HG11 ' HB ' ' A' ' 165' ' ' ILE . 8.1 p -116.39 152.89 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.4 147.73 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 108.278 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 45' ' ' VAL . . . 172.47 49.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 10.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' A' ' 163' ' ' PHE . . . -127.11 66.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.686 ' H ' HG11 ' A' ' 45' ' ' VAL . 1.4 mt -113.33 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 10.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 60' ' ' ILE . 12.7 mt -80.12 64.55 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 159' ' ' ASP . . . -156.71 161.54 31.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 10.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -155.04 137.26 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 10.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -47.94 136.6 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -171.55 -63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 24.5 tttt 66.14 119.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 10.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 36' ' ' VAL . 3.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 35' ' ' VAL . 25.9 m -157.77 177.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.42 178.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 10.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 64.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.88 -68.34 0.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 46.82 89.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.33 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 195' ' ' LYS . 0.2 OUTLIER -37.93 -52.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.07 -142.17 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 10.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 169.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 10.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -173.07 144.4 1.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.939 HG21 HD12 ' A' ' 189' ' ' LEU . 10.5 t -110.31 62.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 57' ' ' PHE . 6.1 pt20 -37.84 139.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 10.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' A' ' 74' ' ' ALA . 6.5 mt -91.34 93.61 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.788 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 6.3 m -94.9 91.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.779 ' HB3' HG11 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.07 148.18 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.905 ' N ' ' HB1' ' A' ' 169' ' ' ALA . 0.0 OUTLIER 58.44 128.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' CB ' ' NE ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER 34.38 31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 34.44 37.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 10.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.806 ' HB2' HH21 ' A' ' 50' ' ' ARG . 14.0 tptm -78.2 -41.16 35.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 10.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 60.38 120.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 10.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 77' ' ' LEU . 5.2 m -114.15 5.24 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 74' ' ' ALA . . . -144.04 -153.02 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' C ' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER 161.32 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.571 HD13 ' C ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -106.59 99.61 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' OE2' ' CG ' ' A' ' 57' ' ' PHE . 2.6 mt-10 -151.17 88.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 10.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.854 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -109.16 153.74 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' N ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -175.48 58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . 5.7 mt-10 -137.49 -107.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.87 161.86 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 110.018 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 147' ' ' LEU . 4.7 p30 -155.41 58.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.52 -75.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 10.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.94 129.83 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 10.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.828 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 38.09 82.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 10.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -84.78 -164.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -149.69 55.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.63 176.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -108.37 88.41 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 10.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.658 HG21 HG22 ' A' ' 60' ' ' ILE . 1.9 pp -138.51 102.56 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 107.0 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB3' HD12 ' A' ' 47' ' ' LEU . . . -142.02 81.06 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 10.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.501 ' CB ' ' CA ' ' A' ' 134' ' ' GLY . 72.5 m-20 -158.79 -42.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.475 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.3 OUTLIER -74.47 59.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 10.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.018 HD12 HD11 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -45.54 -92.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 10.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 177.84 -57.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.03 54.02 3.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.96 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 10.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -72.96 156.21 39.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 10.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.3 m -90.74 132.12 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 10.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.24 125.12 47.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -52.79 -167.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 10.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 88' ' ' TYR . 5.4 p90 -81.78 171.19 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 10.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' HD13 ' A' ' 128' ' ' LEU . 37.2 m80 -137.79 159.09 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 10.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' HIS . 1.9 mp 38.96 54.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 10.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -105.03 114.89 29.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 10.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 44.86 -93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -118.74 -168.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.01 -160.72 28.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.25 167.19 31.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 10.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.93 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 10.0 108.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 94' ' ' VAL . 90.9 t 65.08 50.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 10.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -164.47 111.96 0.89 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -78.44 -178.23 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' ASP . 8.9 m-85 37.65 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.16 -61.52 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 p -160.95 164.67 30.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.49 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 10.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.22 -127.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 10.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.6 -170.58 13.59 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -79.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 10.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 69.22 154.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.401 ' N ' HD22 ' A' ' 106' ' ' ASN . 0.4 OUTLIER -170.02 134.32 1.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.04 155.12 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 10.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.87 84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 10.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -41.33 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt 61.03 114.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 109.346 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 149.51 4.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 10.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -117.56 0.67 12.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 10.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.52 -72.95 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 10.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.2 t80 -38.59 -50.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 23.0 t-20 83.02 38.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.2 m-20 -77.44 173.06 8.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 10.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.0 -28.53 9.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 10.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.46 13.78 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.8 136.11 0.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 10.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' CG ' ' HB2' ' A' ' 114' ' ' PHE . 16.0 t-160 -52.25 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 10.0 109.564 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.39 118.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 109.62 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.26 -43.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 158.86 -40.44 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 10.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 109.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.81 153.24 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 10.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' CG ' ' HA2' ' A' ' 84' ' ' GLY . 18.2 Cg_endo -74.98 166.37 29.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 10.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.498 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.1 m-20 -100.31 175.76 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 10.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 133' ' ' ASP . 1.3 mp 76.47 119.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 10.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.34 60.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.623 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.4 t 48.18 -149.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 58.88 29.74 65.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 10.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 88.3 -13.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 10.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 1.2 t70 -70.84 -2.27 14.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.501 ' CA ' ' CB ' ' A' ' 75' ' ' ASN . . . -120.42 0.35 12.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.99 66.49 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 99.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 138' ' ' VAL . 11.3 p-10 -140.85 154.58 46.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 137' ' ' ASP . 13.8 m 46.48 102.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 142' ' ' ALA . 2.6 mp -88.73 154.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 10.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtm -136.82 21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.614 ' H ' HG22 ' A' ' 139' ' ' ILE . 1.4 m120 164.32 68.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.891 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.68 -178.64 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.891 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.96 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 10.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 t70 176.56 61.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.411 ' OG1' HD22 ' A' ' 68' ' ' LEU . 39.1 p -76.25 69.29 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 10.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -83.61 83.89 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.867 ' O ' HD23 ' A' ' 153' ' ' LEU . 11.7 mt -64.04 -11.99 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.01 82.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -169.23 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -44.11 -51.82 7.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.114 . . . . 10.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.26 -63.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 10.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER 179.81 172.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 10.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 147' ' ' LEU . 2.9 pp -67.23 68.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 152' ' ' LYS . 44.1 t30 -85.0 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.801 HD13 ' C ' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -109.59 -21.12 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 10.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 153' ' ' LEU . 3.0 pp -116.04 -158.6 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 156' ' ' LEU . 24.2 t70 -83.71 151.98 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -47.62 -23.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -84.77 -67.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.667 ' C ' HD13 ' A' ' 156' ' ' LEU . . . -170.49 -165.73 28.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 10.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.662 ' C ' ' HB1' ' A' ' 188' ' ' ALA . 17.9 p -53.9 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 10.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -141.93 106.47 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 10.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.787 ' H ' ' HB2' ' A' ' 188' ' ' ALA . 17.3 m-85 -146.18 78.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 15.5 mm -97.18 129.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 10.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.75 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.5 mp -116.07 124.17 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -155.58 178.46 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.562 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER 82.33 -16.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 28.3 mt-30 -156.23 176.98 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.905 ' HB1' ' N ' ' A' ' 50' ' ' ARG . . . 73.27 113.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 10.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.463 ' N ' ' HA ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -78.48 154.47 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 10.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 172' ' ' TYR . 3.1 m-20 -132.29 82.9 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.519 ' C ' ' O ' ' A' ' 171' ' ' ASP . 18.1 t80 -27.24 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 10.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.471 ' O ' ' HB ' ' A' ' 174' ' ' THR . 6.8 tp -153.57 -86.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 173' ' ' LEU . 0.6 OUTLIER 176.44 173.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 110.41 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 174' ' ' THR . 1.0 OUTLIER 66.49 150.81 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.88 20.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.8 m -108.15 6.9 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 10.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.66 ' O ' HG22 ' A' ' 184' ' ' ILE . . . -101.37 -32.95 5.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 10.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 180' ' ' SER . 1.3 p-10 -141.08 108.66 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 10.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.5 t 90.23 52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 152.27 132.53 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 67.55 174.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 10.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.426 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 7.2 ttm180 -52.15 129.9 28.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 178' ' ' GLY . 1.6 pp -137.33 -53.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 49' ' ' ASN . 6.2 p -109.16 130.68 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.45 172.26 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 10.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . 152.69 133.99 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 10.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.787 ' HB2' ' H ' ' A' ' 163' ' ' PHE . . . 179.34 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.939 HD12 HG21 ' A' ' 45' ' ' VAL . 24.5 mt -134.3 69.62 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 156' ' ' LEU . 49.8 mt -38.94 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 10.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -40.78 150.48 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 10.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.86 -66.41 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 10.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -172.91 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -162.57 158.12 23.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 10.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -78.44 159.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.29 -0.634 . . . . 10.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -113.67 152.8 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.57 97.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 10.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 p -143.01 164.78 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -119.99 -178.88 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.47 -98.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 10.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -151.74 -175.32 5.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.04 135.17 8.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 2.1 m80 -87.5 -32.88 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 10.0 109.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 63.04 148.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 10.0 109.624 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.779 HG11 ' CA ' ' A' ' 187' ' ' GLY . 0.3 OUTLIER -102.62 176.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -98.87 99.88 11.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 10.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 58' ' ' ILE . 1.2 mt -98.33 86.68 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 53' ' ' LYS . 7.0 t -115.21 120.64 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.834 ' CG ' HG11 ' A' ' 185' ' ' VAL . 1.1 m-80 -105.06 168.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 10.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.08 31.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' GLY . 3.0 pp20? -95.73 -43.14 8.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 51' ' ' GLU . . . -146.98 -57.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.771 ' O ' HG13 ' A' ' 48' ' ' VAL . 3.1 tttt -178.25 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -142.9 166.28 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 77' ' ' LEU . 14.6 m -133.79 -1.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 75' ' ' ASN . . . 136.63 -153.05 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 51.1 m-85 -157.11 175.45 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 10.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.768 ' CD1' HD11 ' A' ' 47' ' ' LEU . 20.9 mm -111.89 90.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -112.82 99.76 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 10.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -99.43 152.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -133.84 108.9 8.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -35.15 140.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 10.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 69' ' ' ASP . 9.5 t -103.12 -155.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.48 39.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.89 -85.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -104.05 -157.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 10.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.736 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -40.31 -71.61 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 10.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.633 HD23 HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -156.29 148.57 23.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 10.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' OG ' ' A' ' 63' ' ' SER . 20.3 p-10 -139.32 48.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.2 pp -82.22 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' HD2' HG13 ' A' ' 138' ' ' VAL . 5.5 m170 -126.11 80.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 10.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 2.3 pp -109.91 95.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.486 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 8.0 p -125.8 90.42 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 10.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . . . -63.27 90.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 133' ' ' ASP . 0.1 OUTLIER -132.5 134.95 45.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 10.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HB2' ' N ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 168.98 52.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 10.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.657 HD23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -142.76 -95.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 10.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER 158.65 -56.14 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 10.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 9.44 2.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 10.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 1.012 ' O ' HD21 ' A' ' 83' ' ' LEU . . . 67.49 -65.3 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 10.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.654 ' N ' HG22 ' A' ' 130' ' ' VAL . . . 59.13 175.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.4 m -83.88 105.45 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -106.72 91.49 3.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 10.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.85 156.25 4.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 10.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 1.4 t80 178.16 104.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.56 146.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 10.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -59.95 92.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -137.32 152.2 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 110.956 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.35 129.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 10.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -92.76 97.38 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 126.6 170.91 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p -97.3 142.91 28.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 10.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -47.17 -48.71 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -64.54 164.79 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 61.17 82.83 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.769 . . . . 10.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p30 176.87 95.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 10.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.32 100.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 10.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.05 126.15 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 10.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.4 p -135.85 161.82 34.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.93 -58.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.25 128.99 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.32 -81.84 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.29 10.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -129.85 110.24 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 109' ' ' ASN . 17.3 t-20 -175.9 103.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -38.97 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 10.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.56 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 58.2 t30 45.42 51.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.17 -34.15 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 1.6 mm-40 -96.59 -77.57 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 14.0 p-80 47.78 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 126.54 -175.31 17.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 10.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.575 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 0.4 OUTLIER 79.23 -46.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 0.739 . . . . 10.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 14.8 t-20 87.99 82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 10.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.3 m-20 -149.18 175.51 2.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 10.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.5 Cg_endo -74.92 -15.23 21.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 10.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 mtt -121.56 28.28 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.75 94.01 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER 170.82 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 10.0 109.62 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 121' ' ' HIS . 1.5 m170 61.09 -158.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 10.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -114.58 -103.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 67.27 -41.92 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.567 1.167 . . . . 10.0 111.04 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 122' ' ' ALA . 7.3 t0 81.67 159.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 10.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 156.55 43.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 177.96 7.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 10.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' O ' ' CG1' ' A' ' 136' ' ' VAL . 34.7 m-20 -95.18 59.12 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -122.49 58.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 130' ' ' VAL . 2.5 mm-40 -93.64 64.77 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 10.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 80' ' ' GLY . 37.3 t 58.04 157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.28 -103.59 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 10.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.695 ' HB3' ' CG ' ' A' ' 135' ' ' LYS . . . -91.57 32.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 3.9 m-20 86.82 35.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 10.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.489 ' HA3' ' CD1' ' A' ' 83' ' ' LEU . . . 81.08 53.77 3.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 10.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.695 ' CG ' ' HB3' ' A' ' 132' ' ' ALA . 53.6 mttt -90.96 93.43 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 10.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.678 HG11 ' HB3' ' A' ' 128' ' ' LEU . 1.5 m -136.29 84.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 10.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.701 ' C ' HG23 ' A' ' 138' ' ' VAL . 2.8 p-10 -134.7 175.94 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.834 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.0 OUTLIER 60.19 154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.834 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -128.45 -167.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 10.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 4.2 mtt -149.8 19.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.6 m-20 156.23 146.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.736 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -153.9 149.74 21.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.43 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 10.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.9 t0 176.32 64.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 10.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.58 ' OG1' HD12 ' A' ' 68' ' ' LEU . 25.3 p -105.65 51.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 10.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -60.81 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 147' ' ' LEU . 3.0 pp -96.82 51.21 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -94.48 175.01 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 10.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' LYS . 2.5 mmtt -38.86 141.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.459 ' HA2' HD11 ' A' ' 153' ' ' LEU . . . -36.8 102.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.091 . . . . 10.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.83 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 10.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -99.88 -35.7 9.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 10.0 109.377 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 1.026 ' HB2' HD11 ' A' ' 156' ' ' LEU . 1.3 pp -76.28 56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 154' ' ' ASN . 13.5 t-20 -107.11 22.6 15.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -22.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -90.32 -136.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.623 ' N ' HD23 ' A' ' 156' ' ' LEU . 52.8 t0 -84.76 58.44 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 64.61 -75.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.2 m-20 -137.57 40.98 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.72 24.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 10.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -92.8 -173.4 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 10.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.95 110.48 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 26.2 m-85 -150.09 80.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 186' ' ' CYS . 5.4 pt -84.18 122.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.784 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.6 mp -98.78 135.28 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -176.93 175.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.21 17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 10.0 110.247 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.431 ' O ' ' ND2' ' A' ' 179' ' ' ASN . 0.6 OUTLIER -83.1 175.48 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 10.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -113.48 129.06 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 6.4 t70 -43.33 -72.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 170' ' ' ASP . 2.2 t0 160.17 85.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 10.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.3 t80 50.45 22.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 10.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 173' ' ' LEU . 2.2 tp -172.44 101.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 10.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 175' ' ' ASN . 8.2 t -94.15 -57.7 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.576 ' N ' HG23 ' A' ' 174' ' ' THR . 1.0 OUTLIER 51.06 168.71 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 10.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.45 3.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 10.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 178' ' ' GLY . 8.8 p -176.96 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 177' ' ' SER . . . -36.03 -94.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 10.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 168' ' ' GLN . 2.7 t30 -179.51 116.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 41.9 t -106.5 15.18 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 10.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . 82.65 116.06 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 174.9 145.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 10.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 1.6 ptm180 -39.07 106.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 10.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 185' ' ' VAL . 1.9 pp -136.49 -49.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.834 HG11 ' CG ' ' A' ' 49' ' ' ASN . 13.9 p -112.58 152.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.845 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -156.05 153.94 30.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 10.0 108.355 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.779 ' CA ' HG11 ' A' ' 45' ' ' VAL . . . -109.49 -91.82 2.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 10.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 55.28 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 191' ' ' GLY . 4.3 mt 53.62 81.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 190' ' ' LEU . 1.5 pp -65.39 74.08 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 189' ' ' LEU . . . 110.8 133.65 6.43 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.491 1.119 . . . . 10.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -80.92 123.09 28.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.796 . . . . 10.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -171.35 -49.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.91 107.71 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 10.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -103.78 -2.17 26.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 10.0 110.286 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 p -163.64 163.68 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.09 144.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 10.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.3 p -148.17 177.51 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.5 m -137.96 169.82 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 10.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.7 -87.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.59 170.46 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 10.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.96 152.34 43.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 p80 173.15 -177.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 10.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 72.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.531 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 187' ' ' GLY . 96.2 t -126.31 76.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.427 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -93.56 118.43 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -90.19 73.74 7.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.7 p -99.86 103.19 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 10.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.764 ' CG ' HG11 ' A' ' 185' ' ' VAL . 3.2 m-80 -94.99 171.54 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 10.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.93 12.3 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.244 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.36 -36.2 74.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.15 -45.88 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -141.87 -104.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 10.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -151.44 170.82 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 83' ' ' LEU . 4.4 m -83.37 -13.29 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.92 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 10.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 1.2 p90 177.66 160.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 10.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 47' ' ' LEU . 14.7 mm -115.02 92.32 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 10.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.39 81.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 10.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.606 HG22 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -88.45 156.55 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -147.13 116.68 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 148' ' ' LYS . 1.2 pp20? -38.03 132.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 10.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.495 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 60.4 p -97.59 -165.55 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 10.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -166.76 61.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.15 -71.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 10.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.1 mp0 -123.78 -168.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 10.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -34.01 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 10.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.06 HD13 HD13 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -127.71 149.85 50.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 10.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 1.5 m-20 -154.86 39.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.94 ' CD1' HG23 ' A' ' 72' ' ' ILE . 2.6 pp -83.38 179.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.404 ' HA ' HG12 ' A' ' 138' ' ' VAL . 1.7 t-160 -113.42 108.87 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.572 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' CD1' ' A' ' 70' ' ' ILE . 2.3 pp -129.56 119.42 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.619 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -155.3 100.45 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 10.0 109.998 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -171.29 113.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' CA ' ' HB ' ' A' ' 55' ' ' VAL . 27.5 m-20 -137.3 -173.11 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.852 ' O ' HG13 ' A' ' 130' ' ' VAL . 2.3 m -64.94 113.15 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 10.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -94.71 37.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 173.57 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 10.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.03 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.591 ' HA2' HG21 ' A' ' 130' ' ' VAL . . . -65.82 55.73 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 10.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 169' ' ' ALA . . . -112.75 -179.65 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 168' ' ' GLN . 4.2 m -79.39 121.58 25.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 10.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 76' ' ' SER . 3.2 mm? -85.25 72.01 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -27.45 97.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 163' ' ' PHE . 0.5 OUTLIER -117.75 95.93 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 10.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.13 141.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.46 112.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -110.24 121.53 45.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.39 176.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -116.31 148.79 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.1 87.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 10.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -120.8 -172.7 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.048 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB2' HD21 ' A' ' 189' ' ' LEU . 1.1 m 68.92 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' SER . 17.5 m -102.09 49.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.7 mmt-85 -149.78 87.15 5.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.78 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 10.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.91 169.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 10.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -175.77 77.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 10.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 19.67 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 10.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.81 177.34 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.69 80.82 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.44 -147.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 10.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.06 151.35 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 10.0 111.056 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -77.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 10.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 66.07 168.77 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -127.45 100.55 25.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 10.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.51 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 165.38 90.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 10.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -116.32 84.72 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 10.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.0 110.25 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 50.11 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 10.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 119' ' ' GLY . . . -120.77 -116.78 2.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.455 1.097 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -162.26 43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 10.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 116' ' ' ASN . 57.6 t-20 -171.09 -71.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.58 1.175 . . . . 10.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.544 ' HB3' ' HD3' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 155.12 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.03 -80.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 10.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.2 mtm -76.59 5.18 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.458 ' CA ' ' HA3' ' A' ' 113' ' ' GLY . . . -107.49 60.71 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 10.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -145.87 144.82 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 10.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -135.54 174.02 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 10.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.37 -56.64 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 10.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.88 -40.06 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 10.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -131.69 120.09 22.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 0.766 . . . . 10.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.2 pp -109.83 112.69 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 128' ' ' LEU . 18.5 Cg_endo -74.94 165.59 31.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 10.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -74.05 90.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -172.67 60.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 130' ' ' VAL . 1.2 pt-20 -93.18 54.41 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 76' ' ' SER . 1.9 t 36.11 -156.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.748 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 79.73 -9.34 44.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 10.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 135' ' ' LYS . . . -132.24 6.95 4.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 10.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 6.2 p-10 39.53 61.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 10.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 75' ' ' ASN . . . 105.15 69.87 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 10.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -139.59 175.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.329 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.555 ' O ' ' C ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER 173.01 173.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.555 ' C ' ' O ' ' A' ' 137' ' ' ASP . 0.9 OUTLIER -27.13 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 1.06 HD13 HD13 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -84.88 -146.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.468 ' H ' HG22 ' A' ' 139' ' ' ILE . 0.4 OUTLIER -149.92 -176.22 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.994 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' MET . 42.5 t-20 -40.6 118.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.591 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -108.24 141.42 23.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 145' ' ' THR . 18.3 Cg_endo -74.98 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.555 1.818 . . . . 10.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 143' ' ' PRO . 6.4 t70 31.18 49.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 155' ' ' ILE . 0.8 OUTLIER -132.14 38.13 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 10.0 110.38 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -71.1 132.8 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 10.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.676 HD11 ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.99 -26.11 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 117.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.21 -79.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -110.07 -41.98 1.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 10.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.47 74.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.727 . . . . 10.0 109.941 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.92 -151.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -82.58 -79.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 9.3 t-20 80.5 32.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.893 HG23 HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -138.3 -43.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -100.84 -154.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.0 OUTLIER -83.38 118.51 23.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 10.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.576 ' C ' ' O ' ' A' ' 157' ' ' ASP . 27.9 mt-10 -22.67 -55.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 157' ' ' ASP . 97.5 m-20 -127.74 53.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 10.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 157' ' ' ASP . . . -169.55 130.51 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 10.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 190' ' ' LEU . 0.0 OUTLIER 172.07 103.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 10.0 109.972 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.618 ' HB3' ' N ' ' A' ' 188' ' ' ALA . . . -158.17 176.12 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 85' ' ' PHE . 22.1 m-85 -93.17 109.56 21.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.512 HG22 ' HB2' ' A' ' 186' ' ' CYS . 1.0 OUTLIER -87.49 117.22 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.597 HG23 ' HA ' ' A' ' 83' ' ' LEU . 2.8 mp -102.38 124.22 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 0.3 OUTLIER -179.58 176.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.62 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 0.8 OUTLIER 78.21 -7.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 4.8 mt-30 -143.76 176.18 9.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 10.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.912 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . . . 66.26 93.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.64 111.04 21.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.39 -61.36 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -178.83 -52.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 10.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.88 67.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.48 ' CB ' ' HA3' ' A' ' 178' ' ' GLY . 7.9 t -93.52 45.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 10.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.5 OUTLIER -76.0 -51.52 2.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.4 Cg_endo -75.01 -53.2 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.75 58.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.6 ' O ' HG21 ' A' ' 184' ' ' ILE . . . -60.97 -105.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 10.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 34.7 t-20 -126.87 -43.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 10.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 31.1 t -91.54 32.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 10.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.613 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -145.66 89.08 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 10.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 78.15 169.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 10.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.508 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -71.06 134.89 47.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 10.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.827 HD13 ' H ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER -131.36 -47.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.764 HG11 ' CG ' ' A' ' 49' ' ' ASN . 4.3 p -102.76 129.03 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 10.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.512 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.04 147.3 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 10.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.82 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -145.54 16.73 1.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 10.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.978 ' C ' HD22 ' A' ' 189' ' ' LEU . . . -69.53 61.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 10.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.978 HD22 ' C ' ' A' ' 188' ' ' ALA . 2.9 mm? -140.28 58.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 10.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 45' ' ' VAL . 67.2 mt -76.52 93.83 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -81.31 161.88 43.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 10.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.62 169.0 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.12 -53.98 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 66.08 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 10.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -61.43 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 10.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 36' ' ' VAL . 14.3 p -165.63 110.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 10.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.84 106.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -172.36 142.71 1.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.424 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' ALA . 67.2 m -74.02 -79.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 39' ' ' SER . . . 61.74 123.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -102.56 44.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 59' ' ' GLU . . . -59.79 128.9 47.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 10.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -50.5 175.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 10.0 109.559 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 189' ' ' LEU . 15.7 t60 -96.57 60.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 10.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.05 105.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -108.75 131.3 55.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.909 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.04 99.0 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.81 ' O ' HG12 ' A' ' 185' ' ' VAL . 2.5 p -109.83 136.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.644 ' OD1' HG11 ' A' ' 185' ' ' VAL . 15.9 m-80 -89.98 128.48 36.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 10.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CB ' ' OD1' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -38.93 -34.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -107.37 -58.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.08 -47.85 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.9 tttm 91.92 8.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.752 ' HB2' ' CB ' ' A' ' 48' ' ' VAL . . . 84.97 133.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 15.3 m -145.04 18.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.567 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . -142.92 -152.48 5.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' ' C ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER 162.23 169.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 10.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 72' ' ' ILE . 21.8 mm -107.85 107.05 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE2' ' CE1' ' A' ' 57' ' ' PHE . 6.5 mt-10 -121.47 79.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 10.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.748 HG22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -83.94 165.78 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 10.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.665 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -148.58 62.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -9.82 109.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -95.2 -169.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 10.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -139.85 80.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.18 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 10.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -127.01 -172.29 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 10.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.673 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -44.35 -45.15 8.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 10.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -141.02 145.88 36.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' CA ' HG22 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -157.43 28.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.029 HD13 HG23 ' A' ' 72' ' ' ILE . 1.4 pp -84.57 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.496 ' N ' HD12 ' A' ' 70' ' ' ILE . 2.1 t-160 -130.84 96.61 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 10.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.029 HG23 HD13 ' A' ' 70' ' ' ILE . 2.6 pp -123.31 125.91 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -156.35 142.39 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 10.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -105.31 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 11.0 t30 -97.5 -147.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 10.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 ' HB1' ' A' ' 74' ' ' ALA . 5.9 mp -45.21 -87.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.857 ' O ' HG11 ' A' ' 130' ' ' VAL . 5.2 mmp_? -113.32 157.25 41.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 10.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.26 41.03 60.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 10.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.88 ' HB3' HG21 ' A' ' 130' ' ' VAL . . . -82.77 177.73 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 168' ' ' GLN . 1.5 m -135.6 119.81 17.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 10.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.92 79.14 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.5 -169.28 42.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 10.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.21 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.61 10.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.628 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.2 mm -40.79 103.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -119.7 139.06 52.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 10.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 pt-20 -105.22 59.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.68 57.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.91 109.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -91.72 139.68 30.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 10.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.404 ' C ' HG23 ' A' ' 94' ' ' VAL . 1.7 t 65.86 88.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 95' ' ' ARG . 2.0 t 61.09 -178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 85.6 mmt-85 43.88 83.19 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 10.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 111.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 10.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.27 30.45 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.49 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 10.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m 177.14 102.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.57 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.6 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.13 -84.56 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.65 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 10.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 0.4 OUTLIER -101.81 150.82 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER 162.17 -51.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -74.98 54.94 3.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 10.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -159.01 -60.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -159.96 -45.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.27 164.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 26.07 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 10.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 72.8 -104.06 1.47 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 10.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.438 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 2.8 t80 71.15 -58.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 10.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -177.53 54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.36 169.64 6.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.02 15.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 10.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.33 -26.52 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 10.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 68.5 -174.6 31.21 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 10.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -171.59 1.94 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 10.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -56.69 175.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.03 44.85 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.61 7.23 20.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 10.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.54 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 108.79 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.31 41.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 10.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -84.82 66.2 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 10.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.874 ' HB3' HG12 ' A' ' 136' ' ' VAL . 21.2 mt -141.92 59.67 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.07 74.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.88 HG21 ' HB3' ' A' ' 81' ' ' ALA . 2.0 t 49.66 -143.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.561 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 77.02 -59.29 3.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 10.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.07 -68.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ALA . 3.2 m-20 176.8 33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 48.93 28.6 7.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 10.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -82.74 84.24 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 10.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.874 HG12 ' HB3' ' A' ' 128' ' ' LEU . 8.6 m -93.39 167.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.4 p-10 -165.88 110.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 138' ' ' VAL . 5.7 m -108.77 106.33 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.569 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -152.76 47.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.769 ' O ' HD21 ' A' ' 68' ' ' LEU . 3.8 mtt -84.4 124.98 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 10.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 140' ' ' MET . 23.0 t-20 -36.32 98.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.616 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -107.48 161.38 23.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 10.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.55 68.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.687 ' O ' ' CB ' ' A' ' 146' ' ' SER . 2.1 p -115.01 55.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.687 ' CB ' ' O ' ' A' ' 145' ' ' THR . 7.8 t 103.49 175.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 10.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.743 HD22 ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 25.61 73.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 10.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -145.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 10.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 151' ' ' SER . 10.3 mmtt -124.19 -106.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 10.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 151' ' ' SER . . . -66.84 60.67 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 10.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.513 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.4 OUTLIER 164.09 -48.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 10.0 110.007 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 151' ' ' SER . 4.0 pttt 32.1 -145.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 10.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.4 pp -76.27 56.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 151' ' ' SER . 6.8 p-10 -79.61 7.53 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.6 pt -85.69 23.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.988 ' O ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -80.96 103.7 10.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 10.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.53 -92.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.0 -68.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.17 20.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.12 -131.19 3.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 10.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.5 p 172.66 138.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 10.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -154.42 176.87 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -112.26 135.83 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.94 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -104.53 114.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 185' ' ' VAL . 3.8 mp -90.58 118.69 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.773 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -174.77 178.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 109.575 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.7 OUTLIER 78.67 2.76 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 10.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 1.1 pt20 -84.08 176.89 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 171' ' ' ASP . . . -76.24 -30.21 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 179' ' ' ASN . 17.3 m-20 57.24 -89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.866 ' OD2' HD13 ' A' ' 173' ' ' LEU . 59.1 t0 -148.48 147.22 28.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' A' ' 171' ' ' ASP . 2.6 t80 -78.21 64.21 3.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.866 HD13 ' OD2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -153.62 53.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 13.9 t -80.08 -4.97 54.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 10.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.602 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -81.35 -57.8 0.53 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.94 53.1 3.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 10.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 14.1 m 43.1 68.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 10.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 179' ' ' ASN . . . -110.68 -131.15 5.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 10.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.665 ' HB3' HG21 ' A' ' 184' ' ' ILE . 2.3 m-20 -135.23 -142.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.743 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER 86.92 38.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 150.09 139.82 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 10.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.31 158.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 10.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -38.65 136.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.711 HD12 HG22 ' A' ' 185' ' ' VAL . 1.3 pp -139.58 -61.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 48' ' ' VAL . 4.3 m -126.25 104.54 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 10.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.43 137.12 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 108.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -98.64 -49.48 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 10.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.824 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 60.19 154.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 10.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 189' ' ' LEU . 11.8 mt 58.64 92.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 191' ' ' GLY . 4.2 pp -59.61 -162.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.665 ' N ' HD12 ' A' ' 190' ' ' LEU . . . -111.32 96.67 0.9 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 175.95 175.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 10.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.02 90.01 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 10.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.32 159.55 15.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 10.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -94.03 143.69 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.576 HG23 ' H ' ' A' ' 36' ' ' VAL . 11.9 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.346 -0.613 . . . . 10.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 ' H ' HG23 ' A' ' 35' ' ' VAL . 14.7 p -166.91 158.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.27 171.74 10.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 10.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 t -161.03 173.57 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m 62.01 115.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -166.77 92.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 10.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.07 108.29 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.03 171.15 44.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -73.88 -66.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 10.0 109.634 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 73.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 187' ' ' GLY . 1.4 p -116.67 110.19 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.16 98.68 8.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 10.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -83.66 87.33 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 53' ' ' LYS . 5.2 t -115.0 140.74 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' OD1' ' CD1' ' A' ' 83' ' ' LEU . 2.8 m-80 -97.46 -12.78 22.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.607 ' H ' HG12 ' A' ' 48' ' ' VAL . 2.3 ttt-85 82.09 21.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 10.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -115.91 -97.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 10.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.6 -67.96 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 10.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.7 tptt -174.28 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 10.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 170.63 159.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 77' ' ' LEU . 22.5 m -85.07 -35.23 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . 159.75 -118.99 0.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 10.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 26.2 t80 178.55 164.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 10.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.085 HG23 HD12 ' A' ' 72' ' ' ILE . 6.0 mm -94.02 77.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 92.26 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.913 HG23 HG21 ' A' ' 70' ' ' ILE . 7.3 mt -90.31 129.84 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 10.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -116.73 66.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 10.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 147' ' ' LEU . 0.3 OUTLIER -21.98 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -110.55 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.994 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.15 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -138.01 -85.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' GLY . 9.3 mt-10 -150.97 147.44 27.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.799 ' C ' HD23 ' A' ' 68' ' ' LEU . . . 34.19 -108.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 10.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -141.18 106.72 5.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 0.761 . . . . 10.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.606 ' HA ' HG23 ' A' ' 139' ' ' ILE . 14.9 p-10 -106.39 41.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.913 HG21 HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -98.29 178.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 137' ' ' ASP . 0.3 OUTLIER -109.86 85.41 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 10.0 109.594 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.085 HD12 HG23 ' A' ' 58' ' ' ILE . 11.0 mm -87.42 76.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.704 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 1.5 p -116.04 157.53 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 161.9 70.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.509 ' N ' ' HB ' ' A' ' 55' ' ' VAL . 26.2 m-20 -161.4 -25.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' HA3' ' A' ' 134' ' ' GLY . 0.2 OUTLIER -70.35 63.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 10.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 55' ' ' VAL . 1.9 mt -59.14 -66.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.584 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -179.83 -59.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.671 ' O ' HG11 ' A' ' 130' ' ' VAL . 18.2 Cg_endo -75.02 -159.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 10.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.15 37.17 3.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 10.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 170' ' ' ASP . . . -80.39 177.17 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -91.04 122.16 33.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 10.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 mm? -121.64 70.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.63 127.4 42.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 10.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -165.83 156.24 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 0.1 OUTLIER 165.17 175.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.7 mm -115.11 106.25 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -149.56 169.07 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.72 111.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 10.0 110.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' NZ ' ' H ' ' A' ' 102' ' ' GLY . 5.0 tptp -150.72 -141.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.19 -171.56 31.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 10.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.468 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 7.2 t -93.11 130.93 38.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 10.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' C ' HG22 ' A' ' 94' ' ' VAL . 89.0 m -49.77 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 93' ' ' CYS . 5.0 m 41.25 55.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 45.97 95.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.07 -49.66 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 10.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 162.11 -60.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' ' NH2' ' A' ' 183' ' ' ARG . 22.7 t80 -176.07 -49.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 10.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.65 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.5 p -166.99 177.44 6.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 105' ' ' PHE . . . 56.0 102.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.525 ' H ' ' NZ ' ' A' ' 90' ' ' LYS . . . -85.1 -99.98 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 10.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.15 -58.23 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.67 14.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.773 . . . . 10.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.44 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . 0.2 OUTLIER 47.95 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 10.0 110.963 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -40.44 145.52 0.5 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 10.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -74.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -170.44 -44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 10.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.8 pttt 175.53 116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 11.7 pt-20 -67.67 -47.56 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 10.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 37.3 p-80 45.35 77.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 10.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.5 -94.06 1.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 10.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.0 -49.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 0.79 . . . . 10.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.01 34.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.03 163.07 1.63 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 10.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -88.16 3.89 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.26 -147.52 19.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 29.6 p-80 -173.03 128.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.626 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 74.6 m-70 68.48 -67.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.572 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 121' ' ' HIS . . . 178.7 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 124' ' ' ASP . . . 173.4 -35.97 0.13 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 10.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.3 m-20 61.47 137.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER -93.68 158.53 36.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 10.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.604 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.5 Cg_endo -74.95 157.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 10.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -80.73 58.55 3.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD13 ' HE1' ' A' ' 85' ' ' PHE . 29.4 mt -119.85 78.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 10.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 2.1 pt-20 -113.97 78.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 79' ' ' PRO . 1.8 t 40.01 -148.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 10.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.753 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 62.83 31.33 79.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.123 . . . . 10.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 93.88 -21.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.35 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 63.3 m-20 -50.49 -25.55 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.473 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -74.44 -28.36 63.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.521 1.138 . . . . 10.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 132' ' ' ALA . 16.5 mmtt -82.18 58.08 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 137' ' ' ASP . 1.3 t -114.83 164.02 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 10.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.913 ' HB2' HD11 ' A' ' 139' ' ' ILE . 2.9 p30 -141.99 138.25 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 1.008 ' O ' HD13 ' A' ' 139' ' ' ILE . 26.5 m -77.63 99.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -144.78 123.15 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 7.3 mtt -155.0 22.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.3 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.63 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -83.75 157.89 63.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.98 -41.61 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 143' ' ' PRO . 5.8 m-20 168.89 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 146' ' ' SER . 26.7 p -117.39 60.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.762 ' HB3' HD22 ' A' ' 68' ' ' LEU . 43.6 t 177.26 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -126.5 65.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 10.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 147' ' ' LEU . 1.4 tttm -47.27 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.455 ' HE3' ' CA ' ' A' ' 150' ' ' GLY . 0.0 OUTLIER -112.31 -43.39 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.455 ' CA ' ' HE3' ' A' ' 149' ' ' LYS . . . -66.79 -32.92 82.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 10.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.33 -159.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 10.0 109.995 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 153' ' ' LEU . 11.2 mttt -78.24 -173.87 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 146' ' ' SER . 0.7 OUTLIER -39.86 -62.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 22.0 t-20 67.84 24.07 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 10.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.62 HG21 ' HA ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -114.38 -11.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.532 ' N ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -127.02 -168.03 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 10.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -155.42 168.95 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 10.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' ASP . 3.7 mt-10 36.48 -116.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -84.57 57.86 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 42.01 -101.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 10.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.983 ' O ' HD23 ' A' ' 190' ' ' LEU . 2.3 p 153.91 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 10.0 110.01 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.819 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.36 175.82 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 86' ' ' HIS . 3.2 m-85 -107.22 176.75 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.823 HG23 ' CB ' ' A' ' 186' ' ' CYS . 3.2 mp -136.63 130.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -85.74 101.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.893 ' HA ' HD11 ' A' ' 184' ' ' ILE . 2.9 p-80 -154.32 176.08 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 18.0 mt-10 84.35 -28.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 7.9 mm-40 -133.3 167.13 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 10.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 180' ' ' SER . . . -177.51 -167.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 0.1 OUTLIER 162.56 98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.419 ' OD2' HD23 ' A' ' 173' ' ' LEU . 0.1 OUTLIER 178.55 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 10.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 178' ' ' GLY . 0.3 OUTLIER 51.4 84.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 10.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 174' ' ' THR . 3.5 pp -149.14 -47.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 10.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.73 ' HB ' HD12 ' A' ' 173' ' ' LEU . 1.9 t -107.04 177.13 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 10.0 110.365 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.93 161.14 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.75 20.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.792 . . . . 10.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -48.51 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 10.0 110.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 179' ' ' ASN . . . 116.3 64.4 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 10.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 180' ' ' SER . 7.3 t30 39.23 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 10.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.632 ' HA ' ' HB3' ' A' ' 169' ' ' ALA . 1.5 p 155.66 67.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 10.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 175.36 38.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.571 1.17 . . . . 10.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . 49.36 175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 10.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.536 ' NH2' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER 66.42 61.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -114.01 -89.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -150.03 148.43 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.823 ' CB ' HG23 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -136.17 168.45 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 108.241 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 45' ' ' VAL . . . -102.42 -74.69 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.819 ' HA ' ' HB3' ' A' ' 162' ' ' ALA . . . 69.98 148.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 10.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.5 mt 62.69 98.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 161' ' ' SER . 3.3 pp -87.85 -171.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 190' ' ' LEU . . . -51.38 157.37 2.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 10.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -165.79 109.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 10.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.97 161.75 30.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 10.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 10.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.98 142.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 10.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.3 t -41.33 -87.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.92 -63.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p 45.94 81.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.92 178.62 6.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.4 -96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 10.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -56.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 44' ' ' HIS . . . 147.99 -143.12 10.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 10.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLY . 2.5 m170 36.65 77.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 10.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 42' ' ' GLY . 1.8 p-80 -148.7 158.04 43.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 10.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.895 HG11 ' HA2' ' A' ' 187' ' ' GLY . 74.1 t -109.33 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.22 117.03 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 58' ' ' ILE . 5.8 mt -84.44 98.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.8 t -86.25 145.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.546 ' OD1' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -84.76 13.65 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.958 ' HB2' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER 66.69 -60.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 10.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mm-40 -80.36 -82.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -43.02 -69.63 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 10.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.91 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 ttmt 157.93 -43.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 10.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 162.53 147.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 77' ' ' LEU . 12.4 m -115.48 -18.16 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -148.45 -140.59 3.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 10.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 170.01 173.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.075 HG23 HG22 ' A' ' 72' ' ' ILE . 16.8 mm -93.89 141.22 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.92 117.92 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.916 ' HB ' HG22 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -99.12 120.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -160.07 62.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 10.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -38.68 157.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 10.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.63 -158.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 10.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.23 59.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.52 -81.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 10.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -134.61 152.68 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.86 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 10.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 68' ' ' LEU . 3.6 mp -82.97 88.67 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 10.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.693 ' C ' HD11 ' A' ' 147' ' ' LEU . 2.4 t70 -120.16 -170.22 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 10.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.946 HG23 HD13 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -82.89 171.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' OD2' ' A' ' 137' ' ' ASP . 7.9 t-80 -109.92 65.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.075 HG22 HG23 ' A' ' 58' ' ' ILE . 6.4 pt -87.15 124.48 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -155.02 71.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 134' ' ' GLY . . . -40.54 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.6 t30 -84.81 -163.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.793 ' HA ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -110.91 96.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 110.061 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.776 ' HA ' HG11 ' A' ' 55' ' ' VAL . 6.9 mp -45.74 -79.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.603 ' HG3' ' CE2' ' A' ' 172' ' ' TYR . 0.0 OUTLIER 160.25 -55.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 41.21 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 10.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 27.51 43.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' N ' ' A' ' 169' ' ' ALA . . . -74.4 175.56 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 10.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.494 ' C ' HD13 ' A' ' 83' ' ' LEU . 33.1 m -102.2 127.64 49.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.916 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -115.83 61.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.365 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 98.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.416 1.072 . . . . 10.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.781 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.1 p90 -146.67 112.72 5.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.686 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 1.5 t-160 160.03 98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 109.619 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 156' ' ' LEU . 0.7 OUTLIER 68.8 164.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 10.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -85.97 168.02 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 10.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.1 tt0 -133.27 -54.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -154.18 59.03 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.21 166.69 3.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 10.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.962 ' HB2' ' HB3' ' A' ' 188' ' ' ALA . 0.0 OUTLIER -91.44 156.78 17.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 10.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 31.9 p -47.58 105.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 94' ' ' VAL . 37.2 t -134.0 81.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 60.32 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.78 . . . . 10.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -141.73 140.93 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 10.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 52.95 91.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 10.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.03 114.82 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 10.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.1 p -98.95 167.14 10.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 10.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.07 57.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 10.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.79 144.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 10.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.72 146.13 31.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 80.78 2.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 10.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.62 111.95 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER 174.67 147.76 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 10.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 62.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.42 94.28 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.03 -54.12 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CA ' ' O ' ' A' ' 119' ' ' GLY . 4.2 mp0 -103.22 97.26 7.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.403 ' CB ' ' OD1' ' A' ' 106' ' ' ASN . 51.9 t60 -105.58 98.89 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 10.0 109.589 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.21 151.49 6.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 10.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.06 -65.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ASN . 2.5 t-20 -169.52 41.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.524 ' OD1' ' CE1' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -47.56 173.11 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 10.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.96 -21.88 15.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 10.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.434 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -106.07 -24.01 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 10.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' O ' ' CA ' ' A' ' 111' ' ' GLU . . . 97.94 -11.88 64.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 10.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.434 ' CD2' ' HB3' ' A' ' 118' ' ' MET . 8.6 p80 -130.46 125.92 35.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 10.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.524 ' CE1' ' OD1' ' A' ' 116' ' ' ASN . 0.4 OUTLIER -74.44 -74.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -178.66 -48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.69 38.66 2.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.9 p30 -175.0 74.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -114.1 97.12 44.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.08 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 10.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -95.49 74.02 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.55 59.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 10.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -97.07 59.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 10.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 76' ' ' SER . 1.9 t 38.33 -142.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 10.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.509 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.79 -55.62 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 10.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -83.49 -63.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 10.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 158.62 40.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 37.4 29.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 10.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -83.68 70.33 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 10.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -122.54 93.03 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 10.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.579 ' OD2' ' CD2' ' A' ' 71' ' ' HIS . 9.3 p30 -113.44 112.29 23.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 138' ' ' VAL . 6.5 m -86.55 117.25 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.437 HD13 ' C ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -146.67 20.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 10.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 8.4 ptp -150.4 -169.68 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 45.02 29.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.541 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -121.75 152.9 59.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -175.09 75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.541 HG23 ' HB1' ' A' ' 142' ' ' ALA . 2.3 p -91.92 64.67 4.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 p -91.57 112.92 25.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 10.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.946 HD13 HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -95.78 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.49 -98.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -158.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 10.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -80.49 78.36 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 10.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.53 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 10.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -43.36 13.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.3 pp -77.69 55.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.29 8.51 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.433 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -103.09 -16.73 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.776 ' H ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -121.24 -163.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 4.7 t70 -103.2 126.25 50.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.5 OUTLIER -35.43 -56.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.91 48.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . -173.03 106.41 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 10.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -129.75 7.75 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 187' ' ' GLY . . . -143.06 174.55 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 10.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.686 ' CE2' ' O ' ' A' ' 86' ' ' HIS . 3.0 m-85 -97.77 178.41 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.567 HG23 ' ND1' ' A' ' 166' ' ' HIS . 1.0 OUTLIER -91.82 132.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.344 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -104.03 69.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.67 ' CD2' ' O ' ' A' ' 185' ' ' VAL . 10.3 m170 -131.3 178.07 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 10.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 166' ' ' HIS . 0.6 OUTLIER 78.46 -24.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 10.0 110.343 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.767 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 4.1 mt-30 -139.52 177.07 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 10.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 91.98 134.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -139.51 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.412 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -74.89 -68.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.603 ' CE2' ' HG3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -179.23 -43.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 10.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 173' ' ' LEU . 0.3 OUTLIER -90.23 -37.07 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 173' ' ' LEU . 6.6 t 42.34 27.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -74.02 -51.29 4.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.03 87.93 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.1 OUTLIER 80.0 -68.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 10.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 106.19 133.27 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 10.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 180' ' ' SER . 13.3 t30 -71.38 -143.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 10.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.426 ' H ' ' ND2' ' A' ' 179' ' ' ASN . 4.0 p 77.96 47.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -110.5 46.33 1.19 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 10.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 57.51 163.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 10.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.23 77.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 10.0 110.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 1.064 HG22 HG12 ' A' ' 185' ' ' VAL . 3.3 mp -124.25 -105.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 10.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 1.064 HG12 HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -110.76 146.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 134.16 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.895 ' HA2' HG11 ' A' ' 45' ' ' VAL . . . -132.72 111.27 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 10.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 92' ' ' SER . . . -170.97 60.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 10.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 31.6 mt -148.39 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 161' ' ' SER . 0.0 OUTLIER -128.27 83.28 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -168.08 -79.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 10.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 128.65 35.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.3 m120 167.39 79.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 10.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -169.45 -60.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 10.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt 54.2 75.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.285 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 35' ' ' VAL . 10.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.54 128.05 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 10.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -108.0 154.15 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 10.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.0 p -126.37 175.29 7.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 13.9 p -51.97 172.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HB1' ' NE2' ' A' ' 43' ' ' HIS . . . 175.54 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 10.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 61' ' ' LYS . 2.0 m-85 -68.9 77.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 52.81 106.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 10.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 20.0 p80 -175.52 168.6 3.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 10.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.17 68.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 10.0 109.548 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 47' ' ' LEU . 35.8 t -139.64 89.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 10.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.527 ' C ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -103.17 120.74 41.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 10.0 110.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.876 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -112.95 96.25 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 53' ' ' LYS . 26.7 t -123.86 115.35 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.685 HD22 HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -103.81 176.6 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 179' ' ' ASN . 11.1 mtt180 -91.2 53.78 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 10.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CG ' ' OD1' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -138.48 -91.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.62 -74.52 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 10.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 48' ' ' VAL . 8.7 tptt -177.47 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 10.0 109.321 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -170.36 148.81 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 78' ' ' ARG . 27.5 m -106.13 17.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.777 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 153.89 -146.88 15.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.11 . . . . 10.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 58' ' ' ILE . 0.2 OUTLIER 157.27 176.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 10.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.643 HG23 ' CD1' ' A' ' 72' ' ' ILE . 19.2 mm -115.84 116.39 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -151.35 58.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 10.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.959 HG21 ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -87.28 177.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -122.99 58.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.824 ' HB3' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -38.09 109.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 10.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -53.61 -97.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 174.8 62.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 -83.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 68' ' ' LEU . 12.9 mt-10 -129.14 -159.97 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -49.91 88.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.142 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 66' ' ' GLU . 1.2 mm? -116.56 107.18 14.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.959 ' HB3' HG21 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -156.12 84.45 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 10.0 109.238 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.009 ' O ' HD12 ' A' ' 70' ' ' ILE . 1.6 pp -97.5 59.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.655 ' C ' HG22 ' A' ' 60' ' ' ILE . 0.3 OUTLIER 178.23 52.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 10.0 109.589 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 72' ' ' ILE . 40.0 mm -102.56 59.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -80.02 69.4 6.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 10.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.38 84.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 15.1 m120 -153.55 -42.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 10.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.624 ' CB ' HD23 ' A' ' 83' ' ' LEU . 60.8 p 173.16 80.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 10.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.835 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -88.54 -28.47 20.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 10.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.762 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.83 152.07 7.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 10.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.02 135.07 18.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 10.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.01 70.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 171' ' ' ASP . . . -144.17 166.17 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 1.047 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.0 m -110.47 127.54 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.047 HD13 ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -140.22 97.16 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -55.39 148.21 26.12 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 10.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.498 ' C ' ' CG ' ' A' ' 86' ' ' HIS . 7.3 t80 -162.47 123.26 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 10.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CG ' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 165.17 117.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 10.0 109.628 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mm -50.72 101.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.98 174.07 15.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 10.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.93 -176.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -111.68 92.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 57.58 116.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 10.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.626 ' OG ' HG22 ' A' ' 164' ' ' ILE . 1.7 t -89.06 122.98 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.633 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 71.5 m 66.24 155.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 10.0 108.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' CYS . 55.7 t 61.49 122.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.254 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 60.73 108.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.46 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER 65.24 173.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -169.29 89.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.42 -63.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 t -173.7 78.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 10.0 109.935 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 87.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.5 -150.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 10.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.85 -119.07 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.59 5.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 10.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -90.15 63.96 5.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 10.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.02 145.27 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.6 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 10.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 10.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 54.29 100.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 10.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -42.98 -56.83 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.76 170.06 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.2 m170 71.92 52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 114' ' ' PHE . . . 123.78 -172.56 16.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 10.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 113' ' ' GLY . 1.3 t80 71.95 -66.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 10.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 1.6 m-80 160.27 121.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.07 156.73 2.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.25 15.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -122.78 17.7 10.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.11 -143.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.7 -164.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 10.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -105.86 174.39 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 10.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -45.15 -58.08 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.84 -45.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 10.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.52 148.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 10.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.62 HD11 ' OE1' ' A' ' 129' ' ' GLU . 2.1 pp -89.57 156.84 47.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.559 ' O ' HD12 ' A' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 169.58 22.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 10.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -74.73 63.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.43 HD13 ' ND2' ' A' ' 75' ' ' ASN . 40.6 mt -138.72 68.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.716 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.6 OUTLIER -157.45 74.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.813 HG13 ' CB ' ' A' ' 133' ' ' ASP . 0.2 OUTLIER -179.48 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 11.88 -120.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -97.55 17.24 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 10.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.813 ' CB ' HG13 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -59.07 -16.42 18.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -99.07 0.29 57.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 10.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 132' ' ' ALA . 2.2 mttt -84.56 89.45 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.497 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -115.45 124.09 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 138' ' ' VAL . 9.1 p-10 -121.05 68.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 137' ' ' ASP . 27.0 m -157.82 167.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -149.17 169.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -155.97 112.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 140' ' ' MET . 13.7 t-20 53.79 103.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.969 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -155.91 133.03 6.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 10.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.3 Cg_endo -74.99 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 10.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 147' ' ' LEU . 4.1 m-20 -174.68 72.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.969 HG23 ' HB1' ' A' ' 142' ' ' ALA . 41.9 p -57.06 85.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 10.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' ASP . 0.3 OUTLIER 60.82 12.76 3.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 10.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' A' ' 62' ' ' GLU . 9.1 mt -77.01 -41.56 42.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.483 ' HE3' ' CA ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER 65.88 144.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.483 ' CA ' ' HE3' ' A' ' 148' ' ' LYS . 0.4 OUTLIER -151.26 -94.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -103.48 -33.45 4.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.05 16.9 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 10.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 153' ' ' LEU . 7.1 mtmm 73.04 -171.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 1.062 HD12 HD21 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -35.35 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 7.6 t-20 83.07 29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.749 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -97.57 -15.27 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -83.85 -169.0 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.55 43.44 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.32 4.86 4.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.74 -34.15 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 69.05 142.73 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 10.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.53 137.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 10.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.474 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -125.65 170.1 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 10.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 1.161 ' CE2' HD11 ' A' ' 165' ' ' ILE . 1.7 p90 -87.56 125.77 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 10.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.819 ' O ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -108.22 134.25 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 10.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.161 HD11 ' CE2' ' A' ' 163' ' ' PHE . 2.1 mp -111.54 176.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 10.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.695 ' H ' HG22 ' A' ' 165' ' ' ILE . 2.8 t-80 94.79 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 180' ' ' SER . 1.4 tt0 60.41 4.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 166' ' ' HIS . 50.1 mm-40 -92.92 175.56 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 170' ' ' ASP . . . -110.86 150.53 29.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.8 t0 83.86 115.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.463 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -173.82 -173.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.434 ' C ' HD22 ' A' ' 173' ' ' LEU . 2.5 t80 -43.6 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 174' ' ' THR . 1.1 mm? -101.63 -28.25 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 10.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 174' ' ' THR . 7.8 t 34.02 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 1.2 m-20 -173.36 175.4 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.96 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.485 1.781 . . . . 10.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.4 t -142.91 21.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -58.38 -115.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 10.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.456 ' CB ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 m-80 -113.32 57.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 0.743 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLU . 87.5 p -119.8 81.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.513 ' H ' ' CE1' ' A' ' 166' ' ' HIS . . . -98.04 -86.54 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 184' ' ' ILE . . . -179.29 111.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 10.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER 32.33 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 182' ' ' ALA . 1.0 OUTLIER -116.85 -59.9 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.4 p -90.49 107.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.413 ' SG ' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -150.91 140.85 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 10.0 108.258 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -85.21 -39.27 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 10.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 67.36 119.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 10.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.8 OUTLIER -155.46 59.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.3 pp -99.77 170.02 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 10.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -51.55 105.2 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -119.03 116.12 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 10.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 179.2 143.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.96 145.5 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 10.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -66.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.266 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -100.81 125.37 54.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.73 145.19 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -164.29 153.8 13.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 10.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 m -109.05 -63.3 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 10.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.79 122.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -47.19 -55.63 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 10.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.63 -128.92 1.03 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 10.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' C ' ' CG ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -56.2 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 10.0 109.596 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 171.41 159.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 10.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 188' ' ' ALA . 14.2 m -83.73 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -55.28 140.22 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 10.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.11 71.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 10.0 109.274 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 53' ' ' LYS . 1.4 t -81.49 127.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 10.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.696 HD21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.08 153.19 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.54 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HG3' ' CA ' ' A' ' 178' ' ' GLY . 2.8 mm-40 -110.18 -53.41 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 10.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.594 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -35.27 -40.62 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.912 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 87.71 -29.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 10.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.632 ' O ' HD21 ' A' ' 77' ' ' LEU . . . 169.11 146.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.76 HG12 ' HG ' ' A' ' 77' ' ' LEU . 20.6 m -112.85 9.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 10.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.777 ' HA3' ' HB1' ' A' ' 74' ' ' ALA . . . 140.98 -119.27 1.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 10.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.43 157.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 10.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.683 HG23 ' HB ' ' A' ' 72' ' ' ILE . 13.8 mm -109.25 92.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 79.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 10.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.867 HG22 HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -84.78 141.82 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -117.03 59.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 10.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.2 mm-40 -2.7 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 p -83.22 175.88 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.54 75.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.54 -80.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.1 tt0 -155.5 160.16 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.963 ' O ' HD23 ' A' ' 68' ' ' LEU . . . 39.85 -97.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 10.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -149.19 159.8 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.86 ' HA ' HG23 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -157.71 28.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 10.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -87.62 177.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -122.16 73.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -94.41 112.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.722 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -157.47 164.9 36.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 110.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.777 ' HB1' ' HA3' ' A' ' 56' ' ' GLY . . . 86.2 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 25.2 m-20 -128.83 -22.66 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 83' ' ' LEU . 4.8 t -109.34 123.76 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.76 ' HG ' HG12 ' A' ' 55' ' ' VAL . 3.7 mt -53.47 -48.68 68.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.3 mtp180 156.53 -46.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.02 125.28 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 10.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . -24.91 93.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 10.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' O ' ' CA ' ' A' ' 129' ' ' GLU . . . -113.79 169.17 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.763 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 1.6 m -118.81 96.12 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 10.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.682 ' HA ' HG23 ' A' ' 165' ' ' ILE . 0.1 OUTLIER -105.77 100.62 10.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 10.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.31 53.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 10.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 p90 -135.96 126.65 27.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 10.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER 165.73 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 87' ' ' ILE . 5.9 mm -39.55 155.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.67 171.55 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -108.63 -63.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 110.293 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -137.58 147.42 45.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 60.2 127.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 10.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 189' ' ' LEU . 1.7 m -102.27 46.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 10.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.6 m 65.07 63.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 108.346 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.5 t -127.97 128.5 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 66.85 89.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.41 2.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 10.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 -64.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -161.42 73.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.0 74.36 3.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 10.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -100.36 76.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 109.932 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.54 -68.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.44 96.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 10.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.35 115.67 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 105' ' ' PHE . 18.2 Cg_endo -75.0 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 104' ' ' PRO . 2.7 t80 79.54 -9.85 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 105' ' ' PHE . 3.6 m-20 155.62 145.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 10.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.7 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 10.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -155.4 -70.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 10.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HA ' ' ND2' ' A' ' 106' ' ' ASN . 18.8 pttt -140.47 -132.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 2.5 mm-40 46.33 -172.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 113' ' ' GLY . 24.4 t-80 -89.67 168.95 11.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 10.0 109.586 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 112' ' ' HIS . . . -35.3 -71.23 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 10.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.0 t80 -67.53 -67.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 0.8 OUTLIER 158.95 45.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -60.63 176.12 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 10.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.02 157.56 42.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.78 . . . . 10.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' PRO . 1.3 mtt 36.03 32.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . 52.57 175.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 10.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -79.81 -73.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 10.0 109.609 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.568 ' N ' ' CG ' ' A' ' 120' ' ' HIS . 5.5 t-80 -178.27 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 10.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -172.48 -97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 10.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . -142.82 24.67 2.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 10.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 78.47 175.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 10.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.55 108.59 48.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.367 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 124' ' ' ASP . 18.1 Cg_endo -75.05 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 10.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.4 ' O ' HD12 ' A' ' 128' ' ' LEU . 6.1 m-20 -85.15 169.93 13.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 68.74 63.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.581 ' C ' HG12 ' A' ' 130' ' ' VAL . 2.6 pt-20 -148.79 58.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 10.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.581 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -176.8 165.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.726 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . -56.58 -148.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 10.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 87.35 -11.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER 77.42 38.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 10.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.76 93.42 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.57 59.44 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 10.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -118.99 159.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 136' ' ' VAL . 0.6 OUTLIER 172.03 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 10.0 109.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.577 ' O ' HD13 ' A' ' 139' ' ' ILE . 0.8 OUTLIER -136.18 113.24 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.2 mm -113.86 -110.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 10.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.569 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -82.74 -149.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 140' ' ' MET . 11.0 t-20 66.35 29.29 9.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.501 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -131.96 139.34 34.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.42 1.747 . . . . 10.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.433 ' HA ' ' CE ' ' A' ' 148' ' ' LYS . 2.4 t70 176.11 74.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 10.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.869 ' OG1' HD21 ' A' ' 68' ' ' LEU . 43.7 p -112.93 55.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.79 ' HB2' HD23 ' A' ' 153' ' ' LEU . 5.2 p 86.99 -159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.858 HD12 HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER 25.2 54.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.812 ' HZ3' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -120.78 -137.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -71.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -50.36 -92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -45.08 42.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 10.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.581 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER 65.16 98.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.21 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -109.85 22.68 15.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 10.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.643 HD13 ' C ' ' A' ' 155' ' ' ILE . 0.0 OUTLIER -113.51 -33.12 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 10.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -86.13 -159.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.605 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -83.79 149.12 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 157' ' ' ASP . 0.7 OUTLIER -32.54 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 10.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -86.9 -50.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 190' ' ' LEU . . . 130.87 -87.15 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 1.1 p 87.01 170.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 10.0 109.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HG11 ' A' ' 45' ' ' VAL . . . -141.5 179.54 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -82.23 167.08 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.545 HG22 ' HB2' ' A' ' 186' ' ' CYS . 3.1 pt -121.65 145.73 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 185' ' ' VAL . 4.8 mp -98.58 98.42 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 182' ' ' ALA . 4.9 p80 -116.29 175.45 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 43.86 26.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 10.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.461 ' CD ' ' C ' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -83.96 176.0 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -110.77 168.94 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -77.13 -152.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -108.69 75.92 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 10.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 52.95 47.47 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 10.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.969 HD21 ' HG2' ' A' ' 176' ' ' PRO . 3.4 tp -148.04 -74.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER 43.02 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 10.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.588 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 1.1 m-20 176.29 -56.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.969 ' HG2' HD21 ' A' ' 173' ' ' LEU . 18.2 Cg_endo -75.04 53.29 3.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 10.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 176' ' ' PRO . 1.7 p 38.31 33.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' CA ' ' HG3' ' A' ' 51' ' ' GLU . . . -76.9 -36.24 36.95 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.472 1.108 . . . . 10.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -172.12 119.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 72.4 p -174.36 36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 182' ' ' ALA . . . -168.58 118.16 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 166' ' ' HIS . . . -38.98 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER 82.91 60.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.271 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.658 HG12 HG12 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -131.51 -40.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.686 HG22 HD13 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -139.13 125.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.545 ' HB2' HG22 ' A' ' 164' ' ' ILE . 19.7 p -147.98 152.17 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 162' ' ' ALA . . . -129.72 154.43 20.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 10.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.762 ' O ' HG12 ' A' ' 45' ' ' VAL . . . -179.89 176.54 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 10.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 92' ' ' SER . 0.1 OUTLIER 64.52 81.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 160' ' ' GLY . 0.0 OUTLIER -38.59 151.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -99.74 75.31 0.47 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 10.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 171.84 119.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 10.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 47.24 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.2 48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.03 149.61 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 10.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLU . 14.0 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.4 t 66.56 -73.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 26.5 mt-10 -87.55 168.32 13.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 10.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.4 p -107.04 -167.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -58.69 172.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 10.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.95 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 10.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -127.6 149.38 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.28 158.25 33.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 10.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.521 ' O ' HG21 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -43.55 152.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 10.0 109.553 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.84 130.59 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.569 ' CG1' ' HB1' ' A' ' 162' ' ' ALA . 2.7 t -137.69 60.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 10.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.84 140.23 57.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.32 111.1 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 185' ' ' VAL . 1.9 t -124.94 100.73 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.713 HD21 HG21 ' A' ' 55' ' ' VAL . 12.1 m-80 -83.02 139.02 33.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.564 ' HB2' HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -72.61 52.67 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 167' ' ' GLU . 10.5 mt-10 -134.4 -71.9 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 10.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.59 -83.77 1.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 10.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.3 tttp -175.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 10.0 109.296 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -146.69 166.85 25.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG22 HD23 ' A' ' 47' ' ' LEU . 6.3 m -155.1 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 74' ' ' ALA . . . 142.65 -155.72 25.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' C ' HD13 ' A' ' 58' ' ' ILE . 2.3 p90 175.86 175.62 0.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 10.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 43' ' ' HIS . 8.1 mm -103.25 116.81 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 72' ' ' ILE . 49.8 mt-10 -156.09 58.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 72' ' ' ILE . 10.2 pt -84.45 154.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.74 76.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 10.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.609 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -19.47 119.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.162 . . . . 10.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.545 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -102.67 179.72 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 10.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.44 71.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 10.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.97 -73.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -154.58 143.72 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . 39.32 -152.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.639 HD13 ' CB ' ' A' ' 145' ' ' THR . 0.9 OUTLIER -87.51 115.86 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 10.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.545 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -115.17 36.24 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 10.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 70' ' ' ILE . 1.1 pp -82.39 -179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 10.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 85.81 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -135.4 123.72 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -133.75 115.41 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 85' ' ' PHE . . . -66.25 82.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.759 ' HA ' HD11 ' A' ' 77' ' ' LEU . 21.7 p-10 -113.33 -154.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 10.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 64.12 55.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 10.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD11 ' HA ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -128.48 -153.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 164.13 -52.64 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 10.0 110.254 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.0 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 10.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 15.82 62.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 10.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.614 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -90.62 157.94 17.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 10.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.73 ' C ' HD13 ' A' ' 83' ' ' LEU . 7.9 m -84.46 114.84 22.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 10.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -104.0 83.19 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' LEU . . . -32.69 -75.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 48.21 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 10.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 87' ' ' ILE . 4.0 t-160 171.77 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.55 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.613 HD11 HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -51.25 132.55 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 10.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -155.42 148.15 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 10.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' TYR . 7.4 pt-20 -30.67 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 164' ' ' ILE . 13.5 mttt -100.49 118.37 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 162' ' ' ALA . . . -147.22 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -80.48 82.74 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 10.0 109.957 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -42.61 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 108.292 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 94' ' ' VAL . 81.2 t 48.41 73.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 63.01 82.83 0.21 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 10.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 10.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.19 121.01 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 55.16 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.03 138.94 58.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 10.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.79 91.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 10.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.55 -70.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.43 -97.61 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 10.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.47 -146.53 18.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 10.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -42.84 163.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.504 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER 163.57 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -75.0 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.422 1.748 . . . . 10.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 67.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 107' ' ' PRO . 11.6 t30 -130.18 -63.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -88.34 -69.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 10.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.51 120.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.64 119.12 37.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 10.0 109.602 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.487 ' O ' ' CE1' ' A' ' 121' ' ' HIS . . . -158.19 -145.82 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.115 . . . . 10.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -102.89 14.99 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 10.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 116' ' ' ASN . 63.5 t-20 -165.34 -69.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 157.7 -53.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -74.98 -75.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 10.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.3 mmm -89.23 25.86 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 10.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.68 151.65 20.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 10.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.409 ' N ' ' HA3' ' A' ' 113' ' ' GLY . 1.2 p-80 -160.95 112.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 10.0 109.551 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 113' ' ' GLY . 3.8 m170 -109.22 -75.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.616 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -163.21 -48.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 113.39 33.81 1.87 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 10.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -75.55 128.36 35.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -84.43 -58.78 0.36 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.07 173.65 14.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 10.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -107.53 76.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.023 HD22 HG21 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -139.94 61.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 10.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 130' ' ' VAL . 1.3 mm-40 -84.25 58.47 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 10.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 35.39 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.419 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 87.55 -38.14 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 10.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -108.35 11.95 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 10.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 73.53 28.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 10.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 74' ' ' ALA . . . 54.28 50.39 56.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.79 85.64 7.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 10.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 1.023 HG21 HD22 ' A' ' 128' ' ' LEU . 4.9 m -144.95 94.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.865 ' O ' HG22 ' A' ' 138' ' ' VAL . 25.6 p-10 -116.32 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 137' ' ' ASP . 6.3 m 54.04 159.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.528 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.6 147.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -125.12 144.6 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 10.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 140' ' ' MET . 7.9 t30 78.83 91.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.434 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -132.44 153.96 81.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 10.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -179.53 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.686 HG22 HD13 ' A' ' 155' ' ' ILE . 17.3 p -84.89 79.25 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.9 104.13 16.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 10.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -83.14 45.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -148.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -120.07 -48.41 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -37.52 -53.36 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 10.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -109.28 -31.66 7.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 10.0 109.988 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.61 ' HG3' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER 53.29 106.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.892 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.0 OUTLIER 24.37 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.792 ' C ' HD13 ' A' ' 156' ' ' LEU . 2.3 t30 -77.1 0.79 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.686 HD13 HG22 ' A' ' 145' ' ' THR . 4.8 pt -85.62 59.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -119.55 55.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 10.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -151.35 76.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 157' ' ' ASP . 1.4 tt0 86.51 -36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 10.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -83.96 -41.66 17.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 10.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -60.19 -145.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 10.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.481 ' C ' ' HG ' ' A' ' 189' ' ' LEU . 3.6 m 79.57 163.86 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 10.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.637 ' HB2' ' N ' ' A' ' 189' ' ' LEU . . . -82.75 176.72 9.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 87' ' ' ILE . 22.4 m-85 -87.04 146.88 25.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 90' ' ' LYS . 13.6 mt -93.86 126.99 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 186' ' ' CYS . 0.1 OUTLIER -133.07 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 10.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 168' ' ' GLN . 0.4 OUTLIER -167.73 149.4 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 10.0 109.582 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 1.028 ' CG ' ' HB3' ' A' ' 182' ' ' ALA . 2.6 pt-20 -68.93 56.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 2.6 mm-40 -84.59 179.49 7.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 10.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 81' ' ' ALA . . . 68.03 127.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.53 136.79 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 173' ' ' LEU . 7.6 m-20 -137.21 150.86 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 10.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 55.19 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.458 ' C ' HG22 ' A' ' 174' ' ' THR . 0.4 OUTLIER -142.09 -50.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 10.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 173' ' ' LEU . 2.4 t 42.7 36.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 10.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.8 OUTLIER -50.84 -52.89 53.03 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.45 76.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 10.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 179' ' ' ASN . . . -105.45 -34.54 3.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 10.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 171' ' ' ASP . 0.2 OUTLIER -163.67 119.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.5 p -179.43 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 10.0 110.069 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -169.08 111.25 0.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 10.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 1.028 ' HB3' ' CG ' ' A' ' 167' ' ' GLU . . . -170.18 114.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.0 OUTLIER -86.99 80.52 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.248 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 50' ' ' ARG . 2.8 pp -130.06 0.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.83 102.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 165' ' ' ILE . 0.0 OUTLIER -155.07 137.76 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 108.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -93.93 -142.12 11.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -165.52 104.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 10.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -137.28 99.8 4.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 10.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.692 ' CD1' HD13 ' A' ' 153' ' ' LEU . 0.4 OUTLIER 36.66 88.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -86.8 -175.52 49.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 10.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.86 161.91 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 0.787 . . . . 10.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.8 t30 67.43 146.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 10.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.26 170.05 9.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.05 151.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 10.0 110.266 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG22 ' H ' ' A' ' 37' ' ' GLU . 9.4 p -167.13 169.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -93.59 176.07 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.0 p -139.6 -173.61 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 10.0 110.448 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -105.29 170.84 7.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 10.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.548 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . -176.98 117.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 10.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 23.8 m-85 -148.71 104.06 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 164.98 -124.71 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' HD2' HG21 ' A' ' 58' ' ' ILE . 46.9 m-70 -52.83 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 10.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 74.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.595 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 ' C ' ' A' ' 187' ' ' GLY . 2.2 t -135.34 87.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.17 97.58 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 10.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.46 84.53 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 53' ' ' LYS . 2.4 t -126.32 110.37 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 10.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.71 ' ND2' HG11 ' A' ' 55' ' ' VAL . 2.1 m-80 -81.8 162.18 22.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.44 33.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.37 -85.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.91 -75.73 0.74 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 10.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.2 tptt -176.21 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . -149.5 169.15 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' ND2' ' A' ' 49' ' ' ASN . 25.1 m -146.0 10.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 47' ' ' LEU . . . 133.35 171.02 12.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -165.58 175.5 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -120.67 133.26 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 71.5 mt-10 -155.62 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.801 ' CG1' HD21 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -88.5 155.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 10.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.7 54.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 10.0 109.297 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.575 ' H ' HD22 ' A' ' 147' ' ' LEU . 14.3 mt-10 -145.13 -120.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 10.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.529 ' C ' HD22 ' A' ' 68' ' ' LEU . 13.2 t 63.43 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER 76.33 -56.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 10.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.0 -45.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 63' ' ' SER . 7.5 pt-20 -124.96 -156.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.923 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -86.63 103.87 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 10.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD22 ' C ' ' A' ' 63' ' ' SER . 1.7 mp -94.0 -113.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' O ' ' CD ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -140.79 90.53 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.585 HD12 ' CD1' ' A' ' 139' ' ' ILE . 0.1 OUTLIER -84.51 173.5 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.71 89.11 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.6 pp -138.39 72.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.88 81.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 10.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . . . -60.23 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -82.54 128.54 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 4.5 m -113.94 53.79 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -35.8 -37.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -44.77 127.65 5.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.3 Cg_endo -75.04 133.25 16.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 35.77 64.69 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.42 1.075 . . . . 10.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 78' ' ' ARG . . . -117.05 176.23 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 10.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.83 ' H ' ' HB2' ' A' ' 169' ' ' ALA . 3.7 m -127.71 116.83 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 165' ' ' ILE . 1.5 mm? -110.38 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -39.26 160.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 10.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.661 ' CD2' ' CE2' ' A' ' 163' ' ' PHE . 43.7 t80 -169.73 104.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 10.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ILE . 3.0 t-160 -176.2 111.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.2 tp -40.01 147.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 173.61 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 10.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' HB2' ' HZ1' ' A' ' 90' ' ' LYS . 34.9 mm-40 -101.73 50.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HZ1' ' HB2' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -139.45 158.07 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 10.0 109.234 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.2 -127.45 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 10.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.863 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 8.5 t -84.62 64.19 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 10.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 40.28 81.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 10.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.8 161.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 10.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 60.99 150.8 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 16.3 p-10 177.22 128.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER 178.32 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.008 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.7 168.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 10.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.81 110.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.94 -69.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.56 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 10.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.62 158.47 15.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 10.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.51 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.89 107.7 0.66 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 10.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 10.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -78.01 70.02 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 10.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.75 68.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 111' ' ' GLU . 5.9 mtmt 50.87 56.04 8.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' CG ' ' C ' ' A' ' 110' ' ' LYS . 3.1 pt-20 39.3 89.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -158.33 140.69 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 10.0 109.641 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.71 -24.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 10.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.73 -46.6 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 116' ' ' ASN . 0.4 OUTLIER -162.48 -43.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER 166.11 -52.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 116' ' ' ASN . 18.5 Cg_endo -74.98 124.12 8.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 33.95 37.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 10.0 110.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . -57.96 176.07 1.93 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 10.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 121' ' ' HIS . 14.6 t60 66.86 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.613 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m-70 171.8 -177.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 10.0 109.563 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.9 -1.91 33.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 10.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.32 18.48 58.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -166.4 155.83 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 10.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.418 ' N ' ' HD3' ' A' ' 126' ' ' PRO . 0.4 OUTLIER -151.42 64.32 5.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 125' ' ' LEU . 18.3 Cg_endo -75.04 156.79 42.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 10.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -76.19 58.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.4 mt -151.16 59.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 130' ' ' VAL . 4.6 pt-20 -155.51 62.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -171.07 163.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.503 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.27 42.36 3.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 10.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.604 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -73.42 -59.35 2.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.604 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 6.0 p-10 147.72 -11.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 75' ' ' ASN . . . 80.58 66.46 1.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.475 ' CG ' ' OD1' ' A' ' 133' ' ' ASP . 0.3 OUTLIER -85.95 58.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 10.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.8 t -130.99 90.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.725 ' C ' HG23 ' A' ' 138' ' ' VAL . 8.3 p-10 -158.74 176.35 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.1 OUTLIER 61.15 138.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.585 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -108.44 166.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 10.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 17.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.0 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.923 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -85.93 124.47 70.66 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 10.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 10.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -168.93 65.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 10.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.3 p -71.1 88.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.544 ' O ' ' C ' ' A' ' 147' ' ' LEU . 59.9 p 60.28 -144.11 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.801 HD21 ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER 28.15 47.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 10.0 109.356 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.452 ' HE3' ' CB ' ' A' ' 151' ' ' SER . 11.5 mmmt -91.56 176.63 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 10.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -37.49 3.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 10.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -116.89 -61.69 0.32 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 10.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.452 ' CB ' ' HE3' ' A' ' 148' ' ' LYS . 3.1 t -47.22 -32.11 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.693 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.1 ttpt 56.09 98.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.94 HD13 ' CD2' ' A' ' 190' ' ' LEU . 0.2 OUTLIER 9.45 72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 152' ' ' LYS . 34.3 t30 -97.96 50.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 10.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 195' ' ' LYS . 1.5 pp -106.15 -6.26 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.687 HD12 ' H ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -127.67 -76.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.687 ' H ' HD12 ' A' ' 156' ' ' LEU . 4.0 m-20 -146.36 160.71 41.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 10.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -22.32 64.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -45.66 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 161' ' ' SER . . . 147.31 176.55 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 160' ' ' GLY . 2.9 p 160.55 149.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 10.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.478 ' HB1' ' HA3' ' A' ' 191' ' ' GLY . . . -155.79 175.38 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.661 ' CE2' ' CD2' ' A' ' 85' ' ' PHE . 15.7 p90 -105.59 166.69 10.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 10.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -116.68 134.36 60.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 165' ' ' ILE . 0.2 OUTLIER -102.57 112.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 164' ' ' ILE . 0.5 OUTLIER -175.33 174.33 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.553 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.449 ' CA ' ' HA ' ' A' ' 180' ' ' SER . 2.8 mt-10 60.52 12.07 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 10.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -128.32 162.11 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 10.0 110.313 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.83 ' HB2' ' H ' ' A' ' 82' ' ' SER . . . 76.58 -177.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 178.06 127.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 19.1 p-10 -98.6 37.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER 69.19 29.18 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.968 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.797 HD22 ' HG3' ' A' ' 176' ' ' PRO . 3.3 mt -129.53 -72.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.459 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.7 OUTLIER 42.31 91.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 10.0 110.412 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.505 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.3 m-20 163.05 -52.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 10.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.797 ' HG3' HD22 ' A' ' 173' ' ' LEU . 18.2 Cg_endo -75.0 -67.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 10.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 50.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -66.26 -88.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.99 -45.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 10.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.449 ' HA ' ' CA ' ' A' ' 167' ' ' GLU . 46.1 p -89.78 37.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . -126.47 90.13 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 10.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 66.38 174.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 10.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 183' ' ' ARG . 0.5 OUTLIER -55.22 122.42 11.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 10.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 182' ' ' ALA . 0.8 OUTLIER -119.03 -55.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 184' ' ' ILE . 3.1 p -134.8 149.71 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 16.6 t -155.89 134.12 11.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.753 ' C ' HG22 ' A' ' 45' ' ' VAL . . . -72.94 -76.0 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.863 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 67.71 137.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 10.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 190' ' ' LEU . 8.6 mt 69.4 100.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 10.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.94 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.2 OUTLIER 39.31 94.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.587 ' CA ' HG21 ' A' ' 45' ' ' VAL . . . -125.77 27.78 5.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 10.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.31 158.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 10.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -168.19 -87.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -165.37 167.7 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -124.34 93.51 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 10.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.274 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 37' ' ' GLU . 8.4 p -79.45 169.52 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER 75.21 134.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -167.22 114.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -118.0 -49.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 10.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 63.07 110.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.46 -40.05 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.38 75.69 0.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 10.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.9 m80 53.07 -173.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 10.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -168.88 122.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.4 p -96.82 60.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 45' ' ' VAL . 15.8 pt20 -27.5 133.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.59 102.26 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 53' ' ' LYS . 3.4 t -111.67 135.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -113.66 167.87 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -91.28 26.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.566 ' HB3' HH21 ' A' ' 78' ' ' ARG . 4.3 mm-40 -118.96 -80.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 10.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 -79.93 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 10.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 48' ' ' VAL . 5.6 tptm -176.41 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' LEU . . . -159.54 172.12 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.797 ' HB ' HD21 ' A' ' 83' ' ' LEU . 1.8 m -128.16 3.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 10.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.776 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 138.32 -117.62 1.47 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 167.55 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 10.0 110.965 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.561 HD13 ' C ' ' A' ' 57' ' ' PHE . 3.0 mm -107.86 97.9 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -156.13 79.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 110.255 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.915 HD13 HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -85.17 161.02 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -93.61 -174.16 3.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 3.3 mt-10 -88.78 115.18 26.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 10.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 87.4 p -83.07 -47.59 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 110.055 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 76.56 34.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -52.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.84 -164.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.26 -92.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 10.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.999 HD13 HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -88.83 -167.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 10.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' O ' ' CD1' ' A' ' 139' ' ' ILE . 15.4 t0 -136.44 -146.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.068 ' CD1' HG13 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -101.72 111.46 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 10.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 1.7 m170 158.54 55.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.585 ' CG1' HG23 ' A' ' 60' ' ' ILE . 1.4 pp -153.93 68.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 m -86.69 58.71 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' A' ' 57' ' ' PHE . . . -117.18 91.34 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 1.051 ' O ' HD22 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -116.6 -48.47 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.928 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 10.6 p 159.34 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 110.045 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -46.35 -24.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 10.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.679 HH21 ' HB3' ' A' ' 171' ' ' ASP . 12.8 mtp-105 -79.79 163.32 58.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.1 Cg_endo -75.0 142.62 28.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 10.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.04 75.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 76' ' ' SER . . . -114.36 176.24 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.523 ' HA ' ' CB ' ' A' ' 129' ' ' GLU . 4.3 m -149.68 97.96 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.051 HD22 ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -94.39 113.31 25.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.24 104.21 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -124.25 164.12 20.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 10.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 172.88 71.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 10.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mm 64.8 148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.357 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -152.13 175.51 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.53 71.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 10.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 10.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.85 144.96 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 10.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.624 ' OG ' HG13 ' A' ' 94' ' ' VAL . 1.1 p -84.67 133.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.1 65.97 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 188' ' ' ALA . 3.4 m -117.67 -8.93 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 10.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 169.39 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 10.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.1 Cg_endo -74.99 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 69.39 -62.22 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.7 OUTLIER 45.78 52.75 9.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 10.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -42.39 136.39 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 10.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 -50.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 10.0 109.939 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.63 -72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.37 147.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.501 1.126 . . . . 10.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 104' ' ' PRO . . . 123.77 136.37 4.71 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 103' ' ' GLY . 18.3 Cg_endo -74.94 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 10.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 56.81 105.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -80.48 141.55 52.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 10.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -75.02 61.56 5.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 10.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.1 mp 38.13 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -99.85 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -103.42 -89.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -124.19 175.75 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.49 155.43 19.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . 149.77 155.08 6.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.101 . . . . 10.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 115' ' ' ASN . 45.5 p90 -55.1 -43.69 74.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 10.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.585 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 52.2 t-20 -177.86 47.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.59 168.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 10.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -32.66 38.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.19 168.49 12.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 10.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 113' ' ' GLY . 5.0 p-80 -153.03 137.68 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 10.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.709 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 7.1 m80 -98.25 -64.1 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 10.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . 85.89 -46.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.72 -30.96 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 10.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -161.29 151.21 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 10.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 69.66 15.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.496 ' HB2' HD11 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 169.8 21.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 10.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.52 72.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 10.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.53 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.2 OUTLIER -160.0 64.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 10.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -149.26 69.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 131' ' ' GLY . 0.4 OUTLIER -173.1 166.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -86.79 34.18 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 10.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -58.16 -41.11 83.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.736 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 5.3 m-20 150.3 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.444 ' HA2' ' ND2' ' A' ' 75' ' ' ASN . . . 86.76 44.9 5.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.15 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -111.83 106.59 15.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 10.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.516 ' CG1' ' HB2' ' A' ' 75' ' ' ASN . 3.7 m -151.66 76.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.737 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.4 OUTLIER -95.64 176.31 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 10.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 1.068 HG13 ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 65.25 160.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.999 HG21 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -136.03 153.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.62 109.86 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.9 t30 51.44 96.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 10.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -84.58 161.04 55.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 145' ' ' THR . 18.1 Cg_endo -75.03 -67.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 10.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -166.07 41.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 10.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.894 ' O ' HD23 ' A' ' 147' ' ' LEU . 25.1 p -92.07 69.61 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 148' ' ' LYS . 0.9 OUTLIER -74.69 79.79 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -88.97 44.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 10.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -163.21 29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 10.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -85.41 -99.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 10.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.35 -25.88 3.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 10.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -123.62 174.82 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 10.0 109.983 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 151' ' ' SER . 8.9 mmtt -38.07 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 10.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 154' ' ' ASN . 0.1 OUTLIER -94.57 -106.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 153' ' ' LEU . 14.8 t-20 167.17 -30.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.7 pt -91.33 50.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.7 pp -86.16 101.06 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 173.85 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -38.06 -59.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 -52.04 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 10.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 147.22 -121.7 1.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 10.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 190' ' ' LEU . 12.8 t 172.9 157.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.615 ' HB1' ' N ' ' A' ' 188' ' ' ALA . . . -155.82 154.82 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 10.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.24 106.26 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -84.4 123.62 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.747 ' HB ' HG13 ' A' ' 185' ' ' VAL . 4.0 mp -108.47 155.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -174.75 174.72 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.38 3.51 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.643 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -84.35 173.51 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 10.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.87 -164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.679 ' HB3' HH21 ' A' ' 78' ' ' ARG . 5.0 p-10 -137.54 -177.73 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -89.49 32.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.464 ' C ' HG22 ' A' ' 174' ' ' THR . 62.8 mt -128.67 -80.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 10.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.464 HG22 ' C ' ' A' ' 173' ' ' LEU . 1.2 t 42.38 77.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.509 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.8 OUTLIER 164.83 -53.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 10.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -75.01 -37.17 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 10.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.72 -63.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 59.9 119.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 10.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -109.75 -146.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 10.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 168' ' ' GLN . 48.2 t 178.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.963 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 176.02 -130.82 1.76 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 10.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 56.34 165.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.44 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 10.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 181' ' ' GLY . 1.0 OUTLIER -107.42 -63.8 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.747 HG13 ' HB ' ' A' ' 165' ' ' ILE . 1.5 p -96.51 126.47 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.79 137.68 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 10.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.62 ' CA ' HG22 ' A' ' 45' ' ' VAL . . . -52.09 -55.29 22.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 10.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 94' ' ' VAL . . . 67.71 106.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 10.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.9 mt 59.88 120.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 190' ' ' LEU . 3.8 pp -75.01 57.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 85.29 105.49 0.67 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -83.98 157.13 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -174.98 -65.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -162.3 -64.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? 64.2 162.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 110.275 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 37' ' ' GLU . 2.0 p -112.33 -178.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 10.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.643 ' H ' HG22 ' A' ' 36' ' ' VAL . 13.0 mt-10 66.21 171.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 10.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 39.62 88.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.429 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -170.81 123.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -107.29 -55.13 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' A' ' 59' ' ' GLU . 2.1 p90 -33.64 -40.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 10.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 110.71 -129.23 9.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 10.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . 21.7 m80 -51.58 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 169.51 166.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 10.0 109.582 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG12 ' CD2' ' A' ' 47' ' ' LEU . 3.6 t -88.53 93.62 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -67.21 74.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.626 ' CD2' HG12 ' A' ' 45' ' ' VAL . 7.2 mt -85.39 95.34 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 10.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.008 HG13 ' HB2' ' A' ' 54' ' ' ALA . 23.5 t -116.04 125.75 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.832 ' OD1' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -85.06 115.8 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 4.8 tpt180 37.36 -105.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 10.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 7.1 mt-10 -143.13 6.07 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 10.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -44.95 -48.64 9.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.167 . . . . 10.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 170.87 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 10.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.008 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . 74.64 116.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -126.87 22.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 10.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' HB1' ' A' ' 74' ' ' ALA . . . -118.5 108.69 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -165.47 158.44 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 10.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' H ' ' A' ' 45' ' ' VAL . 3.9 mt -124.02 95.73 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.4 mt-10 -119.52 74.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 HG23 ' A' ' 72' ' ' ILE . 1.8 pp -122.98 170.95 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 10.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.777 ' H ' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -144.4 87.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -33.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -86.4 -95.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.71 -32.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 11.9 p-10 -84.14 -136.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 10.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -83.95 144.76 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.299 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.725 ' HA2' HD23 ' A' ' 147' ' ' LEU . . . 35.82 -151.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 10.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.85 HD22 ' CG1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -154.85 -168.11 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.741 . . . . 10.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.932 ' HA ' HG23 ' A' ' 139' ' ' ILE . 1.1 m-20 -139.89 24.32 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 10.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.85 ' CG1' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.38 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 137' ' ' ASP . 14.9 m170 -118.44 78.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.576 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.919 HG23 HG21 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -81.99 99.39 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -156.06 169.2 25.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.524 ' HB1' ' HA2' ' A' ' 56' ' ' GLY . . . -165.57 55.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 76' ' ' SER . 9.2 m-80 -158.68 170.14 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 10.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.8 p 93.05 58.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 10.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.853 HD12 HD11 ' A' ' 83' ' ' LEU . 1.6 mt -60.16 -71.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.0 ttm180 158.14 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 10.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -75.01 47.66 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 10.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 28.45 86.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 170' ' ' ASP . . . -127.33 175.09 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 10.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.764 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.4 m -95.45 137.23 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.59 86.71 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.688 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -61.14 139.33 47.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 10.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.69 120.68 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 10.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.3 130.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 10.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.551 ' CG2' ' CE2' ' A' ' 163' ' ' PHE . 1.0 OUTLIER -109.96 79.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -149.0 91.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 10.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE2' ' HB3' ' A' ' 162' ' ' ALA . 1.7 pp20? -176.04 175.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 10.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -136.45 111.22 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 10.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.97 111.44 1.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 10.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . 15.2 p -85.53 156.07 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 10.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.28 131.74 47.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.69 -19.38 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 170.75 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.03 -88.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 10.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 2.5 t70 77.64 97.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 10.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -130.52 -47.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 10.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.74 -40.43 95.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.36 -61.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 10.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 41.42 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.33 -115.73 2.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.69 -149.38 43.22 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -176.98 3.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 10.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -133.77 78.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 179.52 143.63 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 10.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.8 59.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -111.37 -63.03 1.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -170.25 45.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.61 110.47 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 11.6 t-80 179.48 61.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.47 -171.49 19.83 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 10.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.27 -59.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 10.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ASN . 47.4 t-20 178.35 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 115' ' ' ASN . 5.4 m-20 -42.63 163.56 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 10.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.62 14.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 10.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 mmt -92.35 -43.41 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 10.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.87 166.38 25.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 10.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 121' ' ' HIS . 1.6 p80 -145.57 -75.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 10.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 120' ' ' HIS . 8.8 m-70 -136.44 -173.84 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 10.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.52 -54.28 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 10.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.86 -35.19 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 10.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -168.27 133.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 10.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.31 87.35 7.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 10.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 10.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.505 ' O ' HD23 ' A' ' 128' ' ' LEU . 55.1 m-20 -73.02 59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 127' ' ' ASN . 5.2 mt -144.07 69.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 10.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.772 ' C ' HG12 ' A' ' 130' ' ' VAL . 6.2 pt-20 -150.86 59.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.772 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 168.91 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 10.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 130' ' ' VAL . . . -58.19 151.36 31.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 69.66 -55.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.581 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.4 m-20 -53.29 -21.08 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . -102.66 -5.35 48.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 10.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -82.73 80.3 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 10.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.401 ' C ' ' CG ' ' A' ' 137' ' ' ASP . 0.0 OUTLIER -106.46 172.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 10.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 165.42 112.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.622 ' O ' HD13 ' A' ' 139' ' ' ILE . 1.6 m -83.61 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.932 HG23 ' HA ' ' A' ' 69' ' ' ASP . 16.9 mm -115.31 -116.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.56 ' N ' HG22 ' A' ' 139' ' ' ILE . 0.1 OUTLIER -82.16 179.64 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 141' ' ' ASN . 9.0 t30 60.25 22.63 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 10.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.27 145.93 46.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 10.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 10.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 168.36 69.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.583 ' N ' HD22 ' A' ' 147' ' ' LEU . 1.6 p -88.65 69.86 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 10.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.65 ' HB2' HD23 ' A' ' 153' ' ' LEU . 1.5 p 91.88 -9.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.846 HD11 ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.22 17.11 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -37.59 133.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.303 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.422 ' N ' ' HE2' ' A' ' 148' ' ' LYS . 0.1 OUTLIER -44.26 -92.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 10.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -73.46 -61.79 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 148' ' ' LYS . 0.5 OUTLIER -70.94 -176.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 10.0 109.989 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -120.73 144.7 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 10.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 33.36 84.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.365 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -89.57 19.2 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 10.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -105.78 -22.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.66 HD22 ' OG ' ' A' ' 161' ' ' SER . 4.1 pp -107.16 -156.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 159' ' ' ASP . 93.0 m-20 -85.97 69.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 65.93 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.8 m-20 -152.13 27.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -125.41 124.1 5.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 10.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.66 ' OG ' HD22 ' A' ' 156' ' ' LEU . 35.8 p -171.84 136.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 10.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.584 ' HB3' ' OE2' ' A' ' 89' ' ' GLU . . . -155.71 120.07 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 10.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.551 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 3.8 m-85 -87.48 148.03 25.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.77 100.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.688 HG23 ' N ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -92.34 137.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 10.0 109.236 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.42 ' HB2' ' N ' ' A' ' 183' ' ' ARG . 1.1 p-80 -177.32 175.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 10.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.11 4.36 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 175.37 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 172' ' ' TYR . . . -151.48 142.97 23.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -154.88 -56.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.43 ' HB3' ' ND2' ' A' ' 179' ' ' ASN . 8.2 t70 -93.3 92.06 7.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.404 ' CE1' ' HB1' ' A' ' 169' ' ' ALA . 41.9 m-85 -83.63 59.63 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 174' ' ' THR . 4.4 mt -128.52 -41.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.913 HG21 ' HA ' ' A' ' 179' ' ' ASN . 0.2 OUTLIER -35.09 153.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.494 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER -51.48 -52.71 57.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.03 42.98 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 10.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 176' ' ' PRO . 0.2 OUTLIER 31.43 42.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 10.0 110.026 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 176' ' ' PRO . . . 163.69 112.2 0.27 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.913 ' HA ' HG21 ' A' ' 174' ' ' THR . 3.5 p30 -72.74 -5.81 40.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 10.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.464 ' CA ' HD12 ' A' ' 184' ' ' ILE . 1.7 m -117.0 77.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -92.39 64.03 2.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.128 . . . . 10.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 58.54 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.42 ' N ' ' HB2' ' A' ' 166' ' ' HIS . 35.9 mtm180 41.01 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.464 HD12 ' CA ' ' A' ' 180' ' ' SER . 0.0 OUTLIER -136.89 -49.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 49' ' ' ASN . 4.0 t -101.72 118.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 6.1 t -155.95 133.95 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 10.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.516 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -104.02 -146.02 15.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 92' ' ' SER . . . -171.49 104.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 10.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.5 mt 69.83 139.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 10.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.74 -169.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -116.82 75.79 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.56 1.162 . . . . 10.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -166.95 177.06 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 10.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -100.66 169.74 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 10.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.2 170.48 14.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 127.76 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 10.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 110.289 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 38' ' ' THR . 35.6 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -43.27 148.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' OE2' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 62.58 93.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' VAL . 38.4 p -129.32 -164.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 110.402 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 97.7 p -117.22 176.51 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 10.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.84 -73.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 10.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.61 158.33 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.31 107.7 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 10.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 1.8 p-80 -161.66 147.06 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 10.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -130.98 59.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 187' ' ' GLY . 59.2 t -134.8 65.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.61 131.55 34.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.78 89.6 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -109.37 114.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.652 ' CG ' HD11 ' A' ' 77' ' ' LEU . 7.0 m-80 -82.01 146.83 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 10.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 4.73 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -107.99 -70.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 10.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' LYS . . . -92.33 13.43 67.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 10.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 4.1 tttt 69.62 -60.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.769 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . -177.46 139.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.874 HG11 ' HA ' ' A' ' 77' ' ' LEU . 31.1 m -118.08 -9.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 10.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.44 -144.17 3.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 169.84 175.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 10.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.86 ' CD1' HD11 ' A' ' 47' ' ' LEU . 19.1 mm -112.95 107.99 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mt-10 -109.04 97.15 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.0 HG23 HG21 ' A' ' 70' ' ' ILE . 16.6 mt -97.43 142.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -142.23 79.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -33.68 126.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 10.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 69.9 p -106.14 -176.6 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 10.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.77 71.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -155.8 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 10.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -125.51 -174.95 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 10.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 142' ' ' ALA . . . -39.31 -86.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 10.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.6 OUTLIER -110.45 149.69 29.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 10.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t70 -155.3 34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.0 HG21 HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -94.27 177.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.4 59.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 10.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 70' ' ' ILE . 1.6 pp -93.41 129.93 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -155.2 67.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.975 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.886 ' HB1' HD11 ' A' ' 128' ' ' LEU . . . -36.44 133.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 10.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.611 ' N ' HD22 ' A' ' 75' ' ' ASN . 1.2 m-80 -78.87 162.19 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.486 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 16.5 m -110.09 110.31 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.874 ' HA ' HG11 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -34.07 -61.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.62 -55.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 10.0 110.331 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 115.3 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.78 73.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 10.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -37.92 133.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.429 0.723 . . . . 10.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 168' ' ' GLN . 66.4 m -156.0 65.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -126.71 102.0 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 168.05 34.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 10.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.28 176.44 4.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 10.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.614 ' O ' ' CE2' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -99.79 169.62 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 10.0 109.561 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -68.05 135.88 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 10.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -116.66 160.85 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 10.0 110.97 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -142.08 -177.74 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.01 57.84 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 10.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -92.26 22.38 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 10.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 64.8 59.69 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 108.29 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG23 ' H ' ' A' ' 95' ' ' ARG . 5.3 m -146.22 -59.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' H ' HG23 ' A' ' 94' ' ' VAL . 22.6 mmt180 -139.46 78.53 26.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 10.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.99 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 10.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 169.24 104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 177.91 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -62.69 135.27 57.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 10.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER 159.84 70.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.993 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.25 56.02 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.43 -164.74 10.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.69 -173.98 36.62 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 10.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 10.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.63 171.87 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -95.79 157.26 36.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 10.0 109.25 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.99 166.01 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 10.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.422 HD22 ' SD ' ' A' ' 118' ' ' MET . 0.2 OUTLIER -40.23 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 10.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.28 86.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt 41.9 50.27 4.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -125.95 130.09 50.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 120' ' ' HIS . 38.5 p-80 -175.9 143.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . -173.36 53.73 0.16 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 10.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.64 -63.51 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 10.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 113' ' ' GLY . 2.1 p-10 -148.02 31.98 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.411 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -47.36 173.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.98 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.422 ' SD ' HD22 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -74.84 -55.11 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 10.0 111.021 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.69 122.64 4.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 10.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 121' ' ' HIS . 6.0 p80 -46.68 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 10.0 109.574 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -153.03 -169.37 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.55 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -118.53 -82.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . 67.06 -46.8 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 122' ' ' ALA . 1.2 t0 79.6 100.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 10.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' A' ' 168' ' ' GLN . 0.8 OUTLIER -124.49 77.12 62.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 10.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.72 26.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 10.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 128' ' ' LEU . 26.1 m-20 60.35 170.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 10.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 83' ' ' LEU . 19.1 mt 43.52 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.742 ' C ' HG13 ' A' ' 130' ' ' VAL . 18.7 pt-20 -135.72 123.84 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.742 HG13 ' C ' ' A' ' 129' ' ' GLU . 0.7 OUTLIER 68.42 161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 76' ' ' SER . . . -77.01 59.75 3.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 10.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.25 32.47 3.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 10.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.463 ' N ' ' HB2' ' A' ' 76' ' ' SER . 0.1 OUTLIER 62.12 16.01 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 53.08 65.05 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -86.82 78.24 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 10.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 128' ' ' LEU . 7.6 m -122.54 163.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 139' ' ' ILE . 27.1 p-10 172.01 145.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 10.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 138' ' ' VAL . 7.2 m -134.59 96.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 10.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.684 HG21 ' O ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -145.78 39.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 128.95 11.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 10.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 68.09 106.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.464 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . . . -155.35 118.16 2.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 10.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 10.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -171.56 60.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.672 ' OG1' HD22 ' A' ' 68' ' ' LEU . 26.1 p -88.02 74.35 8.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 10.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.75 69.0 6.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 147' ' ' LEU . 4.4 pp -81.45 48.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 10.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.586 ' C ' HD21 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -113.6 157.71 21.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 151' ' ' SER . . . -60.61 77.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LYS . 2.8 t 178.28 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 10.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' LEU . 22.0 mmtt -81.75 -54.98 4.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 1.024 HD13 ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -37.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 10.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 154' ' ' ASN . 9.1 t-20 64.69 9.25 5.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.748 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -112.66 -20.95 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 10.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 1.024 ' CD1' HD13 ' A' ' 153' ' ' LEU . 5.7 mt -84.94 -140.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -120.67 86.17 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 10.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 157' ' ' ASP . 26.9 p-10 -90.81 -42.02 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 161' ' ' SER . . . 128.38 -106.03 0.75 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 10.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 1.004 ' HB3' ' HB1' ' A' ' 188' ' ' ALA . 0.0 OUTLIER 55.06 109.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 10.0 109.991 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 87' ' ' ILE . . . -158.69 55.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.533 ' N ' ' OH ' ' A' ' 88' ' ' TYR . 14.2 m-85 -159.2 58.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 10.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.548 ' HB ' ' CE1' ' A' ' 166' ' ' HIS . 13.1 pt -106.78 114.72 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.928 ' HB ' HG13 ' A' ' 185' ' ' VAL . 1.5 mp -97.33 133.21 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.552 ' CB ' ' O ' ' A' ' 165' ' ' ILE . 1.2 p-80 159.15 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.85 -21.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 10.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 125' ' ' LEU . 3.7 mt-30 -83.99 178.25 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -111.69 108.33 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 10.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.814 ' HB2' HD13 ' A' ' 77' ' ' LEU . 2.6 p30 -135.94 40.63 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 10.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 170' ' ' ASP . 4.2 m-20 -178.16 111.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.99 94.11 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.472 ' C ' HG22 ' A' ' 174' ' ' THR . 29.9 mt -153.52 -66.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.472 HG22 ' C ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER 42.74 80.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 10.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.567 ' CB ' ' HD3' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 164.12 -55.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 10.0 109.251 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.95 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 10.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.89 67.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 10.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 179' ' ' ASN . . . -59.37 -119.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 10.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 184' ' ' ILE . 2.0 m120 175.02 81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.58 71.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 10.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . 158.31 128.33 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 10.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 181' ' ' GLY . . . 75.49 158.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.487 ' HA ' ' ND1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -63.63 116.76 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.301 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.741 HG22 ' N ' ' A' ' 185' ' ' VAL . 0.9 OUTLIER -120.43 -76.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.928 HG13 ' HB ' ' A' ' 165' ' ' ILE . 2.6 p -106.51 110.9 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.12 161.26 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 108.293 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 45' ' ' VAL . . . -148.02 16.77 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 10.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 1.004 ' HB1' ' HB3' ' A' ' 161' ' ' SER . . . -49.42 178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 10.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 92' ' ' SER . 6.8 mt 69.4 59.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 10.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 156' ' ' LEU . 3.8 pp -38.83 156.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 43' ' ' HIS . . . -57.77 104.99 0.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 10.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -130.66 164.95 23.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -147.94 80.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -39.02 110.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 10.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 70.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.748 HG22 HG23 ' A' ' 36' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG23 HG22 ' A' ' 35' ' ' VAL . 92.1 t 64.61 115.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -115.41 161.72 18.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 39' ' ' SER . 13.5 t -174.59 177.42 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 10.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' THR . 1.5 m -56.41 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 10.0 110.01 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 43.64 79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 10.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 11.6 m-85 63.24 51.28 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 10.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.87 -141.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 10.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -39.44 -48.92 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 10.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.18 156.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.65 ' HB ' ' CE2' ' A' ' 163' ' ' PHE . 3.0 m -96.1 114.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -89.12 134.35 34.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -113.75 98.84 7.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.793 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 t -130.08 108.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.787 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.1 OUTLIER -83.07 163.46 20.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 10.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.16 50.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 10.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.89 ' OE2' HD22 ' A' ' 173' ' ' LEU . 2.1 mm-40 -108.86 -45.75 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 10.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.601 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -35.39 -31.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 10.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 76.86 -47.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 10.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 52' ' ' GLY . . . -176.81 150.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 4.2 m -116.56 8.05 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.675 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 117.67 -113.5 2.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 10.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.3 p90 169.89 157.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 10.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.93 73.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 10.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' HIS . 10.2 mt-10 -85.96 120.11 26.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 10.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.846 HG22 ' HB ' ' A' ' 70' ' ' ILE . 1.9 pp -125.69 172.47 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -157.55 57.43 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 10.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 61' ' ' LYS . 3.0 mt-10 26.26 91.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 10.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 62' ' ' GLU . 24.3 p 33.77 -147.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.01 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 10.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.55 -63.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -95.13 -170.63 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 1.007 ' HA3' ' HB3' ' A' ' 142' ' ' ALA . . . -37.06 -92.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 10.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.075 HD23 ' HB2' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -91.56 140.41 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' CG2' ' A' ' 139' ' ' ILE . 0.6 OUTLIER -157.44 40.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.846 ' HB ' HG22 ' A' ' 60' ' ' ILE . 1.3 pp -83.48 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 10.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 59' ' ' GLU . 2.9 t-160 -125.64 74.34 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 10.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 70' ' ' ILE . 2.0 pp -109.32 108.76 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -154.27 68.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 10.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -54.61 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 10.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 133' ' ' ASP . 1.2 m-20 -95.91 -6.33 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.83 ' HB2' HG22 ' A' ' 130' ' ' VAL . 27.0 p 42.5 57.16 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 83' ' ' LEU . 1.3 mt 39.49 -92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 164.86 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 10.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.2 Cg_endo -75.02 75.3 3.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 10.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 16.5 63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 10.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -91.76 173.83 7.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 10.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.602 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -100.25 122.84 43.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 10.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.968 HD11 HD12 ' A' ' 77' ' ' LEU . 1.1 mm? -123.96 59.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.9 151.04 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.563 1.164 . . . . 10.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 128' ' ' LEU . 13.6 t80 -168.91 137.66 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 10.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 167.19 119.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 162' ' ' ALA . 1.1 tp -39.2 129.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 10.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 190' ' ' LEU . 0.1 OUTLIER -107.63 176.07 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 10.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.33 -65.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 10.0 110.356 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -155.04 -171.93 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.359 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -37.2 126.28 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -113.69 -83.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 10.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.558 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -112.22 157.51 20.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 93' ' ' CYS . 41.9 t -156.62 -43.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 172.99 -53.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.96 -44.62 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 10.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.6 t0 65.25 144.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 10.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.77 -54.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.06 69.67 10.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 110.355 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -82.16 120.84 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 10.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.04 -70.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 55.88 93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 10.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.68 99.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 138.74 23.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 10.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.38 172.2 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -96.51 111.67 57.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 10.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 121' ' ' HIS . 18.2 Cg_endo -75.04 166.13 29.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 10.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.71 -71.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 10.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 111' ' ' GLU . 3.5 ptmt -167.68 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 121' ' ' HIS . 43.3 mt-10 37.37 60.15 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 10.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -171.24 136.83 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 115' ' ' ASN . . . 152.62 131.2 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 10.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 54.84 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 10.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 169.19 113.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.2 m-20 -140.31 175.94 2.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 10.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.02 -28.56 9.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 10.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.24 28.16 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 10.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.68 52.04 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 10.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 116' ' ' ASN . 4.4 p-80 -176.47 139.28 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 10.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -146.45 -172.47 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 10.0 109.597 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.19 -46.86 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 162.16 -34.62 0.35 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 10.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 162.77 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 114.01 54.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.44 16.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 10.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -116.12 58.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 85' ' ' PHE . 47.5 mt -146.75 61.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' VAL . 5.0 pt-20 -84.36 108.49 17.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 10.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 76' ' ' SER . 32.8 t -43.74 165.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 10.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 130' ' ' VAL . . . 124.14 -18.63 7.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 10.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.0 3.38 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 10.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER 72.78 56.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 76' ' ' SER . . . 41.25 27.46 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 10.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 133' ' ' ASP . 15.4 mtpt -86.57 63.09 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 10.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 136' ' ' VAL . 1.0 OUTLIER -116.95 96.46 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.57 113.04 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' VAL . 4.7 m -110.74 104.2 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -155.28 78.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 1.3 mtt -129.49 169.17 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -43.96 128.68 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 1.075 ' HB2' HD23 ' A' ' 68' ' ' LEU . . . -128.51 168.63 15.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.4 Cg_endo -74.99 -37.11 2.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 10.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.443 ' C ' ' OG1' ' A' ' 145' ' ' THR . 5.5 m-20 168.76 53.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.601 HG22 HG21 ' A' ' 155' ' ' ILE . 0.1 OUTLIER 45.31 97.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 10.0 110.43 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 146' ' ' SER . 0.9 OUTLIER 176.78 35.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 1.05 HD13 HD13 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -39.41 -72.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 10.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 87' ' ' ILE . 2.3 mmmt -40.73 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.44 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.41 3.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 10.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.563 ' CB ' HG21 ' A' ' 87' ' ' ILE . 4.4 t -82.91 -152.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 10.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 146' ' ' SER . 3.4 mtpt -147.0 17.91 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 10.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -138.44 -92.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.711 ' H ' HD12 ' A' ' 153' ' ' LEU . 9.9 t-20 70.26 2.31 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.05 HD13 HD13 ' A' ' 147' ' ' LEU . 0.9 OUTLIER -131.84 -56.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.554 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -103.38 70.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.663 ' OD1' HD11 ' A' ' 87' ' ' ILE . 4.2 m-20 -84.17 139.6 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -25.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 10.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -104.99 -61.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.78 ' HA2' HD11 ' A' ' 60' ' ' ILE . . . -178.59 -75.27 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 -178.65 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 10.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -147.69 97.95 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 10.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 1.028 ' CE2' HD12 ' A' ' 47' ' ' LEU . 5.2 p90 -112.45 175.99 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.004 HG23 ' CE1' ' A' ' 166' ' ' HIS . 1.2 mp -152.54 117.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.883 HD12 ' CD1' ' A' ' 163' ' ' PHE . 3.4 mp -125.38 78.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 10.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 1.004 ' CE1' HG23 ' A' ' 164' ' ' ILE . 4.1 m-70 -77.32 175.44 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 10.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 181' ' ' GLY . 11.7 pt-20 -63.91 66.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' CB ' ' A' ' 82' ' ' SER . 4.5 mt-30 -83.64 177.65 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 168' ' ' GLN . . . -36.46 151.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 10.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.902 ' HB3' HG21 ' A' ' 174' ' ' THR . 0.2 OUTLIER 56.37 175.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 35.8 t70 178.56 39.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.6 OUTLIER 73.87 -60.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 10.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.89 HD22 ' OE2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -78.44 0.59 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.902 HG21 ' HB3' ' A' ' 170' ' ' ASP . 9.1 t -54.65 137.95 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 10.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.5 m-20 161.62 -51.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 10.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.32 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 120.25 83.93 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.443 1.089 . . . . 10.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.615 ' CB ' HD21 ' A' ' 173' ' ' LEU . 2.0 t30 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.6 m 87.59 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 10.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 182' ' ' ALA . . . 56.19 86.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 181' ' ' GLY . . . -26.9 148.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 10.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.479 ' C ' HG23 ' A' ' 184' ' ' ILE . 0.1 OUTLIER -55.91 127.88 32.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 182' ' ' ALA . 0.2 OUTLIER -154.87 -32.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.793 HG22 ' C ' ' A' ' 48' ' ' VAL . 72.3 t -81.24 82.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -155.79 116.18 3.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -96.05 -53.14 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 10.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . 46.91 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.66 73.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.488 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -81.63 5.61 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 123.95 -115.87 2.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.464 1.102 . . . . 10.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 163.83 142.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.74 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -125.54 93.99 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -166.12 83.06 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 10.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -139.22 -61.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.9 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -105.69 172.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 10.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -51.34 173.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 10.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.9 t -81.71 177.27 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 10.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.484 ' CB ' ' CD2' ' A' ' 43' ' ' HIS . 48.5 t -50.07 178.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 10.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.76 -67.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -173.84 128.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 10.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.4 95.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 10.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' CD2' ' CB ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -159.59 149.12 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 10.0 109.562 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.67 68.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 ' HA3' ' A' ' 187' ' ' GLY . 56.0 t -142.0 121.93 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 10.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.66 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -106.46 121.9 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 10.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -121.61 100.05 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.806 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.0 p -121.92 119.5 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' ARG . 69.9 m-80 -83.81 146.11 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASN . 16.3 tpt180 -34.22 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 10.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.78 -46.0 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 10.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -38.89 -47.44 2.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 10.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER 79.28 3.04 2.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 10.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.8 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . 88.41 124.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 76' ' ' SER . 32.9 m -140.27 12.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.83 -160.64 10.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.111 . . . . 10.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.919 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER 174.32 166.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 10.0 111.03 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.998 HD12 HG23 ' A' ' 72' ' ' ILE . 4.8 mm -99.8 136.39 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' H ' HD13 ' A' ' 72' ' ' ILE . 28.3 mt-10 -152.08 74.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 10.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.999 HG23 HD11 ' A' ' 72' ' ' ILE . 1.6 pt -83.72 147.22 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.754 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -152.21 101.73 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 10.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -26.32 128.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 10.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 69' ' ' ASP . 23.6 p -111.72 -173.89 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -151.9 74.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 10.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' GLY . 45.1 mt-10 -120.9 -172.08 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -30.98 -63.25 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 10.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -149.46 136.96 20.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 10.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 63' ' ' SER . 0.4 OUTLIER -132.69 50.66 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 10.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.863 ' CD1' HD11 ' A' ' 139' ' ' ILE . 0.3 OUTLIER -84.93 178.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -122.1 75.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.177 HG21 ' CE1' ' A' ' 163' ' ' PHE . 36.4 mm -98.09 81.69 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 92.49 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 10.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -106.94 74.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.608 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.2 m-80 -157.26 -159.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.637 ' O ' HG21 ' A' ' 55' ' ' VAL . 4.9 t 95.51 55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.695 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -97.3 -79.1 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.6 OUTLIER 160.6 -56.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.767 ' O ' HG21 ' A' ' 130' ' ' VAL . 18.3 Cg_endo -75.02 163.83 34.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 10.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.3 50.42 3.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 10.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.003 ' HB1' ' HB3' ' A' ' 168' ' ' GLN . . . -77.05 171.76 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 10.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.909 ' OG ' ' HB2' ' A' ' 169' ' ' ALA . 40.0 m -106.41 126.68 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 10.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.8 ' C ' HG23 ' A' ' 165' ' ' ILE . 0.5 OUTLIER -117.71 73.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -20.45 129.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 10.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.589 ' HB2' HD21 ' A' ' 128' ' ' LEU . 4.0 t80 -116.31 164.16 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 10.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 1.2 t-160 57.47 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 10.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.7 pt -59.27 -174.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 10.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -143.09 61.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 10.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 70.56 -58.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 179.43 7.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 161' ' ' SER . . . -121.93 -55.08 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 10.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.818 ' HA ' ' HB1' ' A' ' 188' ' ' ALA . 99.5 p -85.05 146.36 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 10.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.95 65.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 10.0 108.331 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -52.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -150.06 144.05 17.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 10.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 10.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.5 t0 175.49 -70.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 10.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -174.06 -64.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.83 119.9 28.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.32 -174.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.51 99.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 10.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 145.39 16.68 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 10.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.73 -122.97 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 10.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.77 33.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -160.88 171.72 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.77 107.12 0.68 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 10.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.758 . . . . 10.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 108' ' ' LEU . 3.1 mt -44.21 -90.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 10.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -154.96 -51.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -178.36 107.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.39 -55.66 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 10.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 44.5 p-80 42.95 77.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 10.0 109.614 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.9 -73.67 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 10.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 173.02 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 10.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.4 t30 175.48 53.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 10.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.12 168.34 0.36 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.59 14.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 10.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 38.4 mtt -82.51 -29.78 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 10.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 144.43 176.06 18.12 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.6 ' NE2' ' CE1' ' A' ' 121' ' ' HIS . 75.9 t60 -158.3 145.29 17.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 10.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.6 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 64.67 175.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.644 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.66 -64.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.01 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.39 132.45 50.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.05 133.47 35.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 165.61 30.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.792 . . . . 10.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -122.91 59.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -170.82 59.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' VAL . 2.9 pt-20 -90.82 57.32 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 79' ' ' PRO . 1.6 t 37.53 -146.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.552 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 72.54 -60.67 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.551 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . -53.92 -43.38 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 10.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 132' ' ' ALA . 1.1 m-20 152.05 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 75' ' ' ASN . . . 94.17 42.72 3.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 10.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -123.5 81.46 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 10.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 128' ' ' LEU . 1.5 t -113.66 87.8 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 10.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.825 ' O ' HG22 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -118.97 178.73 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 10.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 137' ' ' ASP . 5.7 m 53.43 167.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 10.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.905 HD13 HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -130.81 127.06 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 1.8 mmt -86.59 107.16 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' MET . 34.5 t30 79.29 137.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.24 132.53 14.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -44.07 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -177.05 57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.436 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 45.1 p -115.92 60.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 149' ' ' LYS . 6.3 p -79.62 124.51 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 10.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -89.23 17.35 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 10.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.92 69.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 146' ' ' SER . 6.0 tttm -120.24 -68.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -94.16 -29.26 9.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 10.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.06 -76.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 10.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.8 -173.57 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 154' ' ' ASN . 0.3 OUTLIER -41.92 -35.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 6.6 t-20 83.5 -5.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.4 pt -116.58 44.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.23 103.02 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -84.56 89.1 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 10.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 72.61 -62.02 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 10.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.402 ' HB3' HD21 ' A' ' 189' ' ' LEU . 1.4 m-20 -115.3 -45.17 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -179.66 -123.37 0.83 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 10.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.472 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . 13.1 p 171.43 152.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.969 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 188' ' ' ALA . . . -155.41 176.15 12.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 10.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 1.177 ' CE1' HG21 ' A' ' 72' ' ' ILE . 24.6 m-85 -87.26 116.02 25.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 10.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 164' ' ' ILE . 3.4 mp -82.91 112.49 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.834 HG23 ' N ' ' A' ' 84' ' ' GLY . 2.2 mp -109.92 147.88 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.686 ' O ' ' C ' ' A' ' 167' ' ' GLU . 0.3 OUTLIER -119.56 112.78 19.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 10.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 166' ' ' HIS . 68.8 mt-10 5.59 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 1.003 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 pt20 -163.91 176.69 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.909 ' HB2' ' OG ' ' A' ' 82' ' ' SER . . . -73.21 -23.54 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.42 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -79.59 104.59 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 53.95 -85.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 10.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -158.93 62.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 10.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.557 HG21 ' H ' ' A' ' 179' ' ' ASN . 1.2 t -65.9 176.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.58 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER -67.09 -177.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -75.03 112.05 3.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 10.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.8 t 89.33 30.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -83.97 -125.51 1.2 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 10.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.557 ' H ' HG21 ' A' ' 174' ' ' THR . 0.1 OUTLIER -88.72 65.94 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 10.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 82.8 p -138.17 47.71 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 10.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . 119.82 12.68 6.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 10.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' HIS . . . -78.36 111.0 13.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 10.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.4 88.43 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 185' ' ' VAL . 2.6 pp -123.19 -34.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 48' ' ' VAL . 2.6 p -84.69 56.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -124.75 129.21 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 108.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.852 ' HA3' HG13 ' A' ' 45' ' ' VAL . . . -83.75 -54.32 3.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 10.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.818 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . 60.63 145.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 10.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 159' ' ' ASP . 0.3 OUTLIER 68.92 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 10.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 53.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 49.28 -169.48 0.15 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 10.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -165.16 123.96 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 10.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -179.17 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 132.27 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 10.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.82 100.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 10.0 110.241 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.38 157.53 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 10.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -134.64 171.97 13.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 10.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -174.68 161.53 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 10.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.7 OUTLIER 75.19 -177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 110.061 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 39' ' ' SER . . . 72.25 82.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 10.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.48 99.22 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 10.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 140.45 175.26 14.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 10.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 153' ' ' LEU . 4.7 p80 -57.71 -157.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.645 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 1.8 t-160 162.77 113.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 10.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.758 HG11 ' HA ' ' A' ' 162' ' ' ALA . 0.7 OUTLIER -85.12 82.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -27.61 104.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 10.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD11 ' CD1' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -98.79 78.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 185' ' ' VAL . 0.6 OUTLIER -92.13 141.15 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.877 ' OD1' HG13 ' A' ' 55' ' ' VAL . 2.2 m-80 -112.41 172.19 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' CB ' ' ND2' ' A' ' 175' ' ' ASN . 22.6 tpt85 -65.19 -25.47 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 10.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 18.9 mt-10 -147.54 -43.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.914 ' O ' HD11 ' A' ' 77' ' ' LEU . . . -30.95 -37.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.1 OUTLIER 92.7 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 10.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 53' ' ' LYS . . . 166.86 130.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.907 HG12 ' HB2' ' A' ' 76' ' ' SER . 16.8 m -89.2 26.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 109.82 -123.76 6.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 10.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER 162.15 159.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 10.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.5 mp -99.41 100.35 10.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' ND1' ' A' ' 71' ' ' HIS . 29.7 mt-10 -138.46 69.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.776 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.13 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -143.55 118.23 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 10.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -30.6 136.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 10.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 37.1 m -98.74 -84.49 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER 157.96 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 10.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 5.7 t70 -84.72 -93.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 10.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 13.9 mt-10 -141.9 172.68 12.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' GLU . . . 35.76 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 10.0 111.041 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.752 ' O ' HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -83.62 85.33 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 10.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.875 ' O ' HD11 ' A' ' 139' ' ' ILE . 6.5 m-20 -159.96 52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 70' ' ' ILE . 41.6 mm -84.03 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER 174.18 56.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.582 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 72' ' ' ILE . 41.9 mm -106.57 58.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -91.57 88.99 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -100.36 75.55 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -124.48 146.65 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.907 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.3 t -106.92 52.54 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.914 HD11 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 76.31 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 10.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 131' ' ' GLY . 14.7 ptt180 170.01 62.24 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 10.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.702 ' HG2' HD11 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.97 -5.99 17.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 10.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . 74.83 66.93 1.83 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.134 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 167.95 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 10.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.677 ' O ' HD13 ' A' ' 83' ' ' LEU . 16.3 m -81.23 150.38 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.885 ' C ' HG23 ' A' ' 165' ' ' ILE . 1.9 mm? -125.29 57.16 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.785 ' N ' HG23 ' A' ' 165' ' ' ILE . . . 51.89 172.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 10.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 1.7 t80 170.82 140.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 10.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 81.01 168.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 10.0 109.625 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mm -99.02 156.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -153.45 175.0 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 10.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -67.29 72.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 10.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.69 ' CB ' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -153.17 153.31 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.292 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.09 -105.37 1.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 10.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -90.38 160.12 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 10.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.44 ' SG ' ' NZ ' ' A' ' 90' ' ' LYS . 1.7 m -101.43 80.61 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 94' ' ' VAL . 8.5 p -159.32 44.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 10.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -132.55 99.97 15.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 10.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.34 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 10.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.65 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -168.95 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.02 75.59 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 m 53.06 173.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.03 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.26 53.01 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 10.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 63.5 148.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 10.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.93 119.22 4.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 10.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.58 175.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 59.71 156.43 0.1 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.267 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 10.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 44.13 83.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 10.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 41.01 78.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -62.08 165.61 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 10.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER 67.2 160.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.62 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.495 ' N ' ' H ' ' A' ' 120' ' ' HIS . . . -136.64 -61.69 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 10.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.11 -78.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 10.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -174.65 73.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.452 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 1.3 m-20 -148.43 175.5 2.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -75.05 -23.34 13.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 10.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' GLY . 3.0 mmt -116.02 -47.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 121' ' ' HIS . . . 37.27 -137.88 0.57 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.495 ' H ' ' N ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.0 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 10.0 109.654 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 119' ' ' GLY . 0.0 OUTLIER -159.13 -176.1 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 10.0 109.574 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.555 ' HB2' ' OE1' ' A' ' 167' ' ' GLU . . . -83.92 -51.52 7.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.94 -35.33 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 10.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -147.03 173.24 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 10.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.07 92.1 49.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 10.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.01 163.34 35.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 10.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -94.08 59.08 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -165.1 98.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 130' ' ' VAL . 5.0 pt-20 -148.47 56.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 10.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.887 HG23 ' N ' ' A' ' 131' ' ' GLY . 0.6 OUTLIER -155.83 -162.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.887 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -49.73 -101.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 10.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.872 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . -93.13 42.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.733 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.741 ' HB2' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -70.6 -6.7 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . . . -96.46 7.28 66.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 10.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.872 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.4 OUTLIER -81.39 60.67 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 10.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.33 140.11 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 10.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 138' ' ' VAL . 1.3 p30 -149.53 64.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 1.034 ' O ' HD13 ' A' ' 139' ' ' ILE . 2.6 t -159.16 161.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 10.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 1.034 HD13 ' O ' ' A' ' 138' ' ' VAL . 2.5 mm -138.82 157.41 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.01 111.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.02 86.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 143' ' ' PRO . . . -92.55 168.72 12.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.01 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.544 1.813 . . . . 10.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 t0 175.6 62.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.4 p -87.48 12.95 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.7 m -44.39 120.47 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -88.86 14.09 11.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 10.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 101.66 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.55 -105.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -111.71 -15.14 10.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 10.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -148.23 114.08 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 10.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 151' ' ' SER . 0.0 OUTLIER 35.45 -119.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 156' ' ' LEU . 0.2 OUTLIER -62.47 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.499 HD22 HG23 ' A' ' 155' ' ' ILE . 7.6 t30 158.1 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.499 HG23 HD22 ' A' ' 154' ' ' ASN . 3.1 pt -51.93 -21.42 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 153' ' ' LEU . 2.1 mm? -85.31 94.49 8.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 160' ' ' GLY . 0.3 OUTLIER -98.76 149.89 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 50.89 -97.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.7 ' HB3' HD21 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -84.78 -30.95 24.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 10.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 157' ' ' ASP . . . 114.33 -117.75 4.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 10.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.497 ' N ' HD12 ' A' ' 156' ' ' LEU . 88.1 p -178.67 166.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 10.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.758 ' HA ' HG11 ' A' ' 45' ' ' VAL . . . -132.7 167.06 20.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 58' ' ' ILE . 7.0 m-85 -85.67 174.68 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.785 HG23 ' NE2' ' A' ' 166' ' ' HIS . 38.4 mm -127.93 100.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 10.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.885 HG23 ' C ' ' A' ' 83' ' ' LEU . 1.2 mp -117.01 103.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.785 ' NE2' HG23 ' A' ' 164' ' ' ILE . 25.0 p80 179.77 179.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 10.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.555 ' OE1' ' HB2' ' A' ' 122' ' ' ALA . 0.2 OUTLIER 76.8 -0.45 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 167' ' ' GLU . 13.1 mm100 -142.78 171.45 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . 65.73 114.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 10.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 171' ' ' ASP . 4.6 m-20 -134.75 83.11 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.46 ' HB3' HG22 ' A' ' 174' ' ' THR . 4.9 t70 -39.33 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -176.28 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.9 mt -147.67 42.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 171' ' ' ASP . 9.2 t -108.87 163.04 13.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.529 ' ND2' ' CB ' ' A' ' 50' ' ' ARG . 2.0 m-80 63.61 172.45 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.0 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 10.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.0 OUTLIER 85.51 39.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 181' ' ' GLY . . . 80.99 128.36 0.85 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 10.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.572 ' OD1' HG21 ' A' ' 184' ' ' ILE . 36.7 t-20 -39.76 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 10.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 178' ' ' GLY . 1.4 p -88.98 41.76 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -98.56 12.13 63.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 184' ' ' ILE . . . 75.11 137.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 10.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.574 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.6 mtp-105 50.94 77.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 10.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -132.06 -79.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 10.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 184' ' ' ILE . 59.8 t -84.34 129.21 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.64 136.38 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 188' ' ' ALA . . . -47.31 -51.49 15.24 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 10.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.598 ' H ' ' HB1' ' A' ' 162' ' ' ALA . . . 74.16 73.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.733 ' H ' ' HB2' ' A' ' 162' ' ' ALA . 5.3 mt 61.63 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 1.7 pp -49.41 178.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' HIS . . . -36.52 -70.42 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 10.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -153.99 -85.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 10.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -153.89 154.14 33.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 10.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 57.64 179.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.61 127.95 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HA2' ' A' ' 56' ' ' GLY . 17.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 36' ' ' VAL . 7.5 p -159.75 100.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.67 126.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 10.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' SER . 9.9 t -43.03 157.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER 81.38 114.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 10.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.72 80.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.13 99.73 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 10.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.39 179.28 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 10.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -174.33 85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 10.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.22 54.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 109.581 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 HG12 ' A' ' 58' ' ' ILE . 13.4 t -156.79 71.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 10.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.88 92.49 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 10.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 74' ' ' ALA . 12.9 mt -96.94 82.51 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.679 ' C ' HG22 ' A' ' 185' ' ' VAL . 2.5 p -109.82 123.45 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.899 ' OD1' HG21 ' A' ' 185' ' ' VAL . 0.0 OUTLIER -106.91 165.67 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -1.56 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.42 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 10.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -128.97 -42.77 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 10.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 52' ' ' GLY . 8.7 tttt 175.42 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 10.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 53' ' ' LYS . . . -122.23 112.28 17.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 10.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 77' ' ' LEU . 18.6 m -83.75 -16.75 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 10.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . -168.68 -148.07 5.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 10.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER 162.5 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 10.0 111.036 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.863 HG12 HG11 ' A' ' 45' ' ' VAL . 27.9 mm -107.69 120.35 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -139.5 88.96 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 110.315 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.722 HD13 HD22 ' A' ' 156' ' ' LEU . 2.3 pp -85.2 144.03 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -145.29 63.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 10.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -4.52 108.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 10.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 69' ' ' ASP . 41.2 t -35.69 -40.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 10.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.58 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -54.81 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' ' OG ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -87.2 -159.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 10.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . -122.08 -4.82 9.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 140' ' ' MET . 0.0 OUTLIER -147.15 105.38 3.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 10.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -159.74 27.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 139' ' ' ILE . 1.8 pp -106.98 176.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -135.09 103.49 5.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 10.0 109.593 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.5 pp -120.22 59.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 10.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 1.3 p -126.61 132.63 51.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 10.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -123.8 54.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.79 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -157.85 153.65 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.7 t 145.07 56.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 10.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.839 HD11 HD11 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -90.04 -90.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 10.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 mtt180 156.32 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 10.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 29.66 83.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 10.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.588 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -121.17 167.26 12.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 10.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 1.037 ' O ' HD13 ' A' ' 83' ' ' LEU . 63.9 m -105.97 136.54 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -136.97 100.46 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.842 ' N ' HG23 ' A' ' 165' ' ' ILE . . . -47.68 168.21 0.1 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.153 . . . . 10.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 128' ' ' LEU . 2.6 t80 169.01 124.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.78 . . . . 10.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 168.31 121.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 109.641 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 162' ' ' ALA . 3.4 mm -66.55 81.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -155.28 86.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.529 ' HB2' ' HB1' ' A' ' 162' ' ' ALA . 2.2 mt-10 -176.23 -173.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.87 126.63 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.14 143.12 0.57 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 10.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.9 p -94.79 176.03 6.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 10.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.03 155.27 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 10.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 95' ' ' ARG . 54.4 t -147.45 -48.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 tpt85 171.13 -52.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 10.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.05 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 10.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.36 -70.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 10.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.9 t80 56.08 93.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 10.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.63 158.05 34.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.99 -47.69 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 10.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.02 -45.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 10.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.39 133.44 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.62 109.42 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 10.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.536 ' CG ' ' HA3' ' A' ' 123' ' ' GLY . 1.6 p90 -51.62 174.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.7 OUTLIER 164.93 -52.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 10.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 106' ' ' ASN . 18.2 Cg_endo -75.03 59.95 5.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 10.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.818 HD22 ' O ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -40.65 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 174.73 -72.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -172.2 -49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 60.3 mt-10 -86.46 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 10.0 110.278 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.818 ' O ' HD22 ' A' ' 108' ' ' LEU . 26.8 m170 -41.21 117.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.599 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . -175.75 -176.79 44.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 10.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.1 t80 -68.24 100.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 10.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 4.2 t-20 83.55 101.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -166.07 175.86 2.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 10.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -75.0 -47.76 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 10.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 95.06 174.32 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 10.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 113' ' ' GLY . 5.8 p80 -120.64 124.44 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 10.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' HB2' HD22 ' A' ' 125' ' ' LEU . 10.9 m80 -96.38 90.46 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.617 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 63.5 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 10.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 105' ' ' PHE . . . -170.67 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.575 1.172 . . . . 10.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.6 132.73 5.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 10.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 121' ' ' HIS . 1.2 pt? -148.51 153.17 39.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.21 20.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.515 1.798 . . . . 10.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 6.3 m-20 -120.34 171.31 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 85' ' ' PHE . 3.5 mt 81.33 100.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.7 ' C ' HG12 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -155.24 74.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 10.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 133' ' ' ASP . 0.3 OUTLIER 168.82 107.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 10.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 130' ' ' VAL . . . 29.88 -143.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 10.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.759 ' HB1' ' HG2' ' A' ' 135' ' ' LYS . . . -70.44 -6.22 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 10.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.773 ' HB3' HG13 ' A' ' 130' ' ' VAL . 0.5 OUTLIER -63.48 -9.21 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 10.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 75' ' ' ASN . . . -120.47 2.05 12.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 10.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.759 ' HG2' ' HB1' ' A' ' 132' ' ' ALA . 0.2 OUTLIER -81.04 79.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 10.0 109.366 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 136' ' ' VAL . 2.2 t -99.06 87.03 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 10.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -117.56 68.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 137' ' ' ASP . 29.3 m -158.29 143.21 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 1.078 HD11 HD11 ' A' ' 70' ' ' ILE . 10.9 mm -113.83 160.25 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 10.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.829 ' HA ' HD22 ' A' ' 68' ' ' LEU . 22.6 mtt -155.35 127.42 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 140' ' ' MET . 0.3 OUTLIER 80.95 73.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 10.0 109.269 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 67' ' ' GLY . . . -154.9 149.12 19.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 10.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -38.64 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 10.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -172.51 64.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.862 HG21 HG23 ' A' ' 70' ' ' ILE . 1.5 p 39.82 53.86 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 10.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.657 ' O ' ' C ' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -125.9 -8.07 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 10.0 109.975 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.859 ' N ' HD22 ' A' ' 147' ' ' LEU . 0.0 OUTLIER 17.28 61.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 146' ' ' SER . 0.0 OUTLIER -56.39 125.29 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -128.47 -74.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.09 -61.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 10.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 10.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 -85.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 10.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 154' ' ' ASN . 0.2 OUTLIER -115.53 -42.61 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.685 ' H ' HD12 ' A' ' 153' ' ' LEU . 7.5 t30 71.23 6.5 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 10.0 109.268 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.738 ' CG2' HD23 ' A' ' 156' ' ' LEU . 0.4 OUTLIER -114.15 -53.36 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.738 HD23 ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -129.89 65.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.514 ' CB ' HD11 ' A' ' 153' ' ' LEU . 1.6 t0 -112.21 144.71 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.849 ' O ' HD13 ' A' ' 189' ' ' LEU . 1.5 tt0 -39.1 -59.6 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.37 46.11 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 10.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -119.46 -8.28 9.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 10.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 190' ' ' LEU . 1.5 m -96.32 142.45 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -155.61 138.56 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 33.2 m-85 -155.81 84.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 10.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.556 ' CG2' ' NE2' ' A' ' 166' ' ' HIS . 8.6 mm -83.8 117.66 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 10.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.842 HG23 ' N ' ' A' ' 84' ' ' GLY . 1.1 mp -127.66 111.81 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.556 ' NE2' ' CG2' ' A' ' 164' ' ' ILE . 16.8 p80 178.81 177.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.444 ' CA ' ' HA3' ' A' ' 181' ' ' GLY . 0.5 OUTLIER 76.99 -1.98 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 10.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 32.5 mt-30 -145.21 162.57 36.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 10.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 168' ' ' GLN . . . 166.67 174.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.56 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.468 ' HB2' ' CD2' ' A' ' 173' ' ' LEU . 1.8 m-20 -147.93 -175.56 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -89.01 56.59 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 10.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 174' ' ' THR . 0.0 OUTLIER -148.12 -73.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 174' ' ' THR . 9.7 t 32.1 77.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 1.1 m-20 163.81 -52.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 10.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 175' ' ' ASN . 18.2 Cg_endo -74.97 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 10.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 41.2 t -133.26 -53.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 44.87 91.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 10.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 180' ' ' SER . 2.4 t-20 -51.66 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 1.9 t 94.21 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 10.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.597 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 154.28 -121.22 1.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 10.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 184' ' ' ILE . . . 59.78 146.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 10.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -41.63 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.819 HG22 HG23 ' A' ' 185' ' ' VAL . 1.2 mp -124.25 -68.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.899 HG21 ' OD1' ' A' ' 49' ' ' ASN . 73.3 t -86.1 137.38 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.245 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.1 140.46 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 108.277 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.807 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -148.77 143.59 11.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 45' ' ' VAL . . . -176.91 177.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.849 HD13 ' O ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER 73.33 80.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.477 ' N ' ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER 36.79 -154.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 109.286 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -135.51 -49.82 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.464 1.102 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -63.5 139.98 58.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -79.23 93.23 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 10.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 37.98 71.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 10.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 1.3 tttt 48.89 -169.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 36' ' ' VAL . 33.1 m -83.82 57.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 172.18 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 10.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.1 p -113.52 82.07 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 10.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.56 161.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.48 -74.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 96.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 10.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . . . 125.55 159.19 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.521 1.138 . . . . 10.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -58.17 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 10.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -167.06 155.95 10.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 10.0 109.652 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.804 HG22 ' N ' ' A' ' 188' ' ' ALA . 3.8 t -85.41 75.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -36.77 108.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 10.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.65 88.98 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 10.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 53' ' ' LYS . 97.7 t -108.81 105.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CG1' ' A' ' 55' ' ' VAL . 2.6 p30 -98.6 -170.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.7 tpt85 -28.76 -89.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 2.3 mt-10 -105.62 -31.6 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.661 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . -29.41 -40.74 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 10.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 48' ' ' VAL . 16.0 tttm 72.49 -52.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 10.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.07 128.73 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 77' ' ' LEU . 1.5 m -113.48 12.68 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' CD1' ' A' ' 47' ' ' LEU . . . 137.15 -129.62 4.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.107 . . . . 10.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 47' ' ' LEU . 3.1 p90 177.79 162.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 10.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 47' ' ' LEU . 1.6 mp -124.29 97.65 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 70' ' ' ILE . 1.1 pt-20 -122.66 129.04 51.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.799 HG23 ' HB3' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.2 146.69 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -149.49 107.25 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -37.72 120.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 10.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -96.55 -113.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 170.6 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.84 -69.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -134.74 -166.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 10.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . . . -36.09 -91.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 10.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 68' ' ' LEU . 1.7 pt? -127.45 148.69 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 10.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 1.041 ' O ' HD13 ' A' ' 70' ' ' ILE . 2.6 m-20 -135.03 11.21 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 69' ' ' ASP . 2.1 mm -139.52 163.59 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 10.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.869 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 76.86 46.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.563 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.834 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -162.17 56.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.15 177.5 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 10.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -145.98 172.55 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.89 -11.13 31.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 10.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.59 ' CB ' ' HA ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER 71.65 86.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 10.0 110.024 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD11 HG11 ' A' ' 55' ' ' VAL . 1.1 mt -34.52 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 10.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 157.97 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 10.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 56.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 10.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 26.88 45.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 10.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.594 ' N ' HG21 ' A' ' 130' ' ' VAL . . . -63.83 150.05 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 10.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.82 ' C ' HD13 ' A' ' 83' ' ' LEU . 47.7 m -96.55 107.39 19.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -108.85 112.46 24.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 10.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.46 137.24 9.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.834 ' CZ ' HG22 ' A' ' 72' ' ' ILE . 6.7 p90 -133.37 157.97 44.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 10.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -176.88 137.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 10.0 109.626 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 87' ' ' ILE . 2.2 mp -46.28 110.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CZ ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -150.75 143.54 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 10.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.47 143.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 10.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 5.0 pttt -106.99 92.97 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 10.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.04 166.25 11.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.417 ' CB ' ' CB ' ' A' ' 188' ' ' ALA . 37.5 p -86.08 147.6 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 10.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.47 99.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 108.322 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' VAL . 26.6 m -144.37 69.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 64.86 88.8 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.01 -38.32 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 10.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER 79.55 -70.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER 167.1 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 111.03 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.88 -67.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t 55.59 99.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 109.995 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.58 83.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.24 -140.74 6.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 10.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.7 150.31 22.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 88' ' ' TYR . 18.4 Cg_endo -74.98 -87.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 10.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.7 -169.98 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 10.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -133.57 89.84 30.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 10.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.31 41.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 10.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -72.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -159.74 -67.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 112' ' ' HIS . 1.6 mttp -97.19 -81.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.07 -60.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 10.0 110.273 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 110' ' ' LYS . 34.8 m170 -40.31 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 10.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.59 124.75 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 10.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -38.86 -46.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 10.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -149.47 78.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.98 172.33 5.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 10.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 10.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.25 -33.14 61.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 10.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.9 167.01 5.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 10.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -109.47 113.13 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 10.0 109.59 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.653 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.4 p80 -124.7 -69.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.606 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . 81.3 -53.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 10.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.89 -40.42 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 10.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -174.12 143.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 10.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.37 3.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.02 25.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 136' ' ' VAL . 72.6 m-20 -84.11 62.84 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 10.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.57 70.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' VAL . 0.3 OUTLIER -119.7 59.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 10.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.594 HG21 ' N ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 36.73 -150.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 73.71 -54.35 2.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 10.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -89.41 21.52 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 10.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 76' ' ' SER . 0.5 OUTLIER 61.49 42.05 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 10.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . 39.23 25.92 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 10.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 133' ' ' ASP . 9.9 mtpt -90.2 59.34 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 10.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.828 ' O ' HG12 ' A' ' 136' ' ' VAL . 12.7 t -113.01 58.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.878 ' O ' HG22 ' A' ' 138' ' ' VAL . 20.9 p-10 -77.44 177.85 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 10.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 137' ' ' ASP . 4.6 m 55.0 163.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.51 HD12 HG12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -129.73 -169.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 10.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 3.3 mtt -119.86 94.96 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.6 t30 62.33 146.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -125.48 143.47 44.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 10.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 10.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.54 47.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 10.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.588 ' HA ' HG21 ' A' ' 155' ' ' ILE . 68.5 p -103.81 65.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -79.38 119.4 22.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.021 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 68' ' ' LEU . 4.1 mt -75.18 -21.62 58.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 10.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.56 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 10.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -126.05 -46.92 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 10.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.45 -50.41 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 10.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -113.43 46.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 10.0 109.97 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' SER . 0.0 OUTLIER 37.99 -154.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.9 pp -88.57 61.02 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -90.89 37.52 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 10.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.655 ' CD1' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -105.68 -34.38 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 190' ' ' LEU . 1.5 mt -85.53 -142.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -176.3 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.36 12.35 12.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 156' ' ' LEU . . . 81.62 -97.94 1.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 156' ' ' LEU . 9.1 t -159.09 172.06 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 0.79 . . . . 10.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 188' ' ' ALA . . . -155.4 113.93 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 10.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.722 ' CE2' ' CG ' ' A' ' 85' ' ' PHE . 5.0 m-85 -85.77 99.84 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.6 pt -96.07 101.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 165' ' ' ILE . 3.2 mp -97.28 114.77 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 10.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.545 ' CG ' ' HA ' ' A' ' 183' ' ' ARG . 3.3 p80 -176.88 173.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.38 10.08 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 166' ' ' HIS . 9.7 mm-40 -88.85 174.61 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 170' ' ' ASP . . . -85.92 166.45 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 10.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . 31.0 m-20 53.83 171.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 10.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER 169.16 -47.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.02 -50.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 10.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 174' ' ' THR . 0.9 OUTLIER -165.48 -64.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 10.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 175' ' ' ASN . 0.6 OUTLIER 176.97 176.94 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 174' ' ' THR . 6.7 m-20 153.66 162.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 109.257 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 10.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.38 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 10.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 180' ' ' SER . . . 70.67 125.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 10.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 171' ' ' ASP . 0.3 OUTLIER -69.87 58.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 10.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.444 ' CB ' ' OD1' ' A' ' 171' ' ' ASP . 34.0 t -160.83 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . -111.49 51.06 0.72 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.541 1.151 . . . . 10.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 181' ' ' GLY . . . 178.95 143.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 10.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.545 ' HA ' ' CG ' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -59.05 124.22 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.678 HG12 HG23 ' A' ' 185' ' ' VAL . 0.2 OUTLIER -141.46 -42.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.678 HG23 HG12 ' A' ' 184' ' ' ILE . 9.1 t -85.6 112.23 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.97 131.47 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.455 ' N ' HG13 ' A' ' 45' ' ' VAL . . . -135.57 -43.05 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 10.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.804 ' N ' HG22 ' A' ' 45' ' ' VAL . . . 58.27 166.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 10.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 30.2 mt 56.56 85.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 10.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 156' ' ' LEU . 0.2 OUTLIER -66.55 -173.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -50.3 91.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 10.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 190' ' ' LEU . 10.8 t30 -147.36 138.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 10.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -154.84 136.64 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 10.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.86 123.56 50.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -169.6 149.18 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 10.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 110.255 179.928 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' VAL . 13.4 p -151.6 54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 10.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.44 154.97 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 p -139.19 -47.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.5 m 63.01 171.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 10.0 110.042 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -138.47 -65.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -176.75 -178.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.73 138.94 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 10.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -67.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 10.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 10.0 109.562 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.666 HG13 ' C ' ' A' ' 187' ' ' GLY . 39.0 t -123.72 58.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.559 ' C ' HD13 ' A' ' 47' ' ' LEU . 3.0 pm0 -84.86 145.39 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.87 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -119.48 101.16 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 53' ' ' LYS . 2.8 t -129.46 106.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.788 ' OD1' HG11 ' A' ' 185' ' ' VAL . 2.3 m-80 -87.95 152.38 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.12 -55.17 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' LYS . 75.5 mm-40 -95.63 -51.18 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 10.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' ' 77' ' ' LEU . . . -37.7 -29.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.108 . . . . 10.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' O ' HG22 ' A' ' 48' ' ' VAL . 19.2 tptt 71.36 -51.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 10.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 176.67 121.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' HG ' ' A' ' 77' ' ' LEU . 4.5 m -90.46 21.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.52 ' C ' HD21 ' A' ' 47' ' ' LEU . . . 111.27 -111.09 2.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 10.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.732 ' N ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 170.66 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 10.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.719 HG23 ' CG2' ' A' ' 72' ' ' ILE . 9.2 mt -111.16 91.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 71' ' ' HIS . 52.6 mm-40 -95.52 128.39 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -110.96 174.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -167.63 72.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 10.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -11.46 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 t -67.1 -146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.68 38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 10.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.84 -84.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -156.36 158.28 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 142' ' ' ALA . . . 50.35 -164.67 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 10.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.884 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -89.75 127.42 35.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 10.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.747 ' HA ' HG22 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -134.97 36.6 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.756 ' CG2' HD22 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -84.5 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -115.48 80.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.594 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.4 pp -106.52 125.29 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HA ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -156.05 110.68 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 10.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB3' ' CA ' ' A' ' 134' ' ' GLY . . . -75.9 178.65 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 10.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' HB2' ' CA ' ' A' ' 56' ' ' GLY . 1.4 m-20 -95.9 -13.15 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.684 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.3 t 57.34 72.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 10.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.803 ' HG ' HG12 ' A' ' 55' ' ' VAL . 2.2 mt -11.29 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 10.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.567 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 167.86 -57.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' GLY . 18.4 Cg_endo -74.98 78.13 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 20.35 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 10.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' H ' HG11 ' A' ' 130' ' ' VAL . . . -82.85 148.54 27.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 10.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.831 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.24 94.96 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 10.0 109.99 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.864 ' N ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.22 96.78 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.66 126.65 7.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 1.127 ' CE2' HD13 ' A' ' 128' ' ' LEU . 38.4 p90 -170.92 85.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 10.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.676 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -178.74 63.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 10.0 109.603 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 86' ' ' HIS . 2.5 pp -158.56 -173.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 10.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 1.2 p90 -147.47 59.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.588 ' H ' ' HB3' ' A' ' 162' ' ' ALA . 0.0 OUTLIER -61.02 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 10.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.67 104.21 14.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 126.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 10.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.448 ' C ' ' SG ' ' A' ' 93' ' ' CYS . 79.1 p -89.98 123.19 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 10.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 92' ' ' SER . 1.8 m 81.67 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.4 93.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.516 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -76.43 -50.67 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 10.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 10.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 1.7 p-10 172.22 157.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 10.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -127.73 -137.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 10.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.16 164.89 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 p -135.39 97.22 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.07 -111.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 10.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.67 177.88 52.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 157.54 43.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 10.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.25 156.11 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 10.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -154.36 149.17 19.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.39 31.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 10.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.28 46.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -126.89 -77.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 1.4 pttm -174.01 71.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 10.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 9.2 pt-20 44.57 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 10.0 110.262 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER 76.14 121.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.629 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.73 -16.49 56.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 10.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 1.4 p90 -150.9 -47.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 10.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 165.77 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.448 ' CB ' ' CD ' ' A' ' 117' ' ' PRO . 0.3 OUTLIER -142.06 175.8 2.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 10.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 116' ' ' ASN . 18.4 Cg_endo -75.02 -64.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 10.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -88.87 -4.46 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 10.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 60.79 149.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 10.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 11.47 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 10.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 42.85 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 10.0 109.578 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.3 43.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.87 3.93 18.15 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 10.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.68 115.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 10.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.06 151.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 10.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.08 15.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.771 . . . . 10.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -127.99 59.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 10.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.127 HD13 ' CE2' ' A' ' 85' ' ' PHE . 1.5 mt -133.32 60.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 10.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 130' ' ' VAL . 10.2 mt-10 -84.94 69.08 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.801 HG13 ' N ' ' A' ' 131' ' ' GLY . 2.6 p 33.29 -147.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.801 ' N ' HG13 ' A' ' 130' ' ' VAL . . . 61.18 45.36 96.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 10.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 89.37 -7.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 129' ' ' GLU . 1.3 m-20 -52.92 -39.97 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 10.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.703 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -71.42 -17.05 75.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 10.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.68 59.36 5.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.766 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -105.22 176.78 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 138' ' ' VAL . 7.3 p-10 -163.75 110.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 10.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.945 ' C ' HD13 ' A' ' 139' ' ' ILE . 0.3 OUTLIER 48.23 177.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 10.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.945 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -146.68 177.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' ASN . 0.1 OUTLIER -142.28 155.99 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 10.0 110.987 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 140' ' ' MET . 4.0 t30 43.71 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -152.88 118.41 2.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.68 14.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 10.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 145' ' ' THR . 6.8 m-20 -51.2 -47.83 62.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.512 ' C ' ' O ' ' A' ' 144' ' ' ASP . 0.2 OUTLIER 29.32 51.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 155' ' ' ILE . 1.8 p -85.2 44.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.14 -57.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.246 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' LYS . 1.4 tptt -36.42 107.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 10.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 150' ' ' GLY . 0.0 OUTLIER -48.12 109.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 10.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 149' ' ' LYS . . . 32.92 92.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.43 -44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 10.0 109.956 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -116.52 -34.12 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 10.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.6 pp -76.21 54.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -80.2 7.72 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 10.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 146' ' ' SER . 0.7 OUTLIER -89.75 21.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 156' ' ' LEU . 3.9 pp -82.09 101.61 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 159' ' ' ASP . 0.4 OUTLIER -82.21 82.58 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.15 -61.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 10.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 9.7 t70 -83.58 -60.19 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.5 ' CA ' HD21 ' A' ' 190' ' ' LEU . . . 152.96 -105.31 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -92.08 161.73 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.61 ' O ' ' CD1' ' A' ' 163' ' ' PHE . . . -142.92 108.81 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 162' ' ' ALA . 15.0 m-85 -147.8 57.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 186' ' ' CYS . 34.6 pt -86.03 143.44 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.77 ' HB ' HG13 ' A' ' 185' ' ' VAL . 2.6 mp -109.16 143.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 167' ' ' GLU . 19.4 p80 176.96 178.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 109.6 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.6 OUTLIER 79.71 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 10.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.546 ' CB ' ' HB2' ' A' ' 82' ' ' SER . 2.8 mm-40 -137.46 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 10.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -174.67 -80.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.18 115.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -135.24 -53.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -171.41 -47.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 10.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.39 65.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 2.1 t -134.3 72.01 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 10.0 110.417 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.54 150.54 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.3 Cg_endo -75.01 61.69 5.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 10.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 1.0 OUTLIER 160.45 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 10.0 109.951 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 179' ' ' ASN . . . 133.78 136.37 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 10.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 178' ' ' GLY . 14.2 t-20 -32.68 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 10.0 109.248 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 1.7 m 81.83 36.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 110.05 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -76.67 0.22 65.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 184' ' ' ILE . . . 61.24 144.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.688 ' O ' HD12 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 45.9 81.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 10.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 183' ' ' ARG . 1.5 mp -122.24 -64.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.788 HG11 ' OD1' ' A' ' 49' ' ' ASN . 1.5 p -112.28 146.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 10.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -141.65 146.81 36.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.666 ' C ' HG13 ' A' ' 45' ' ' VAL . . . -173.7 118.61 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 10.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 165.66 103.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.473 ' H ' HG22 ' A' ' 45' ' ' VAL . 3.4 mt -151.97 77.9 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 190' ' ' LEU . 2.1 pp -45.32 150.58 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 133.2 115.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 10.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 193' ' ' ASN . 4.1 t30 -108.51 124.28 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 192' ' ' ASN . 1.0 OUTLIER 54.4 103.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.95 -65.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 10.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 2.7 tttp 74.03 172.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 10.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 110.3 179.978 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.3 p -167.65 52.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.47 -176.4 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 10.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.6 t -127.42 159.43 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.54 -175.65 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -105.19 -29.53 10.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 10.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 25.6 p90 42.93 -171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.57 -161.83 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 10.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -62.89 -177.43 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 10.0 109.609 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -90.71 75.13 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 10.0 109.599 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.787 ' CG1' HD13 ' A' ' 58' ' ' ILE . 2.0 p -122.03 86.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -97.46 100.86 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD11 ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -82.98 84.45 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 10.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.615 ' N ' HG23 ' A' ' 185' ' ' VAL . 3.4 t -113.12 114.74 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.663 ' OD1' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -84.21 148.2 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -81.24 7.37 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 10.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 179' ' ' ASN . 7.0 mm-40 -104.61 -67.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.77 -78.21 1.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 10.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -178.77 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 10.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 48' ' ' VAL . . . 177.5 163.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 10.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG12 ' CD2' ' A' ' 77' ' ' LEU . 10.6 m -106.75 -15.69 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.568 ' C ' ' CG ' ' A' ' 57' ' ' PHE . . . 162.24 -130.1 2.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 10.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.612 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 161.12 166.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 10.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.9 mp -108.53 118.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 10.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' OE2' ' CD1' ' A' ' 57' ' ' PHE . 2.0 mt-10 -154.6 82.13 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 10.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.95 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -156.65 -176.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.15 139.44 54.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 10.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.97 151.27 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.3 p -105.23 124.11 48.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.3 60.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -66.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.62 -174.99 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 142' ' ' ALA . . . 46.93 -133.33 12.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.446 1.092 . . . . 10.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.774 HD22 ' OG1' ' A' ' 145' ' ' THR . 0.4 OUTLIER -137.52 -114.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.77 . . . . 10.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.94 ' CB ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -81.25 -176.89 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.045 ' O ' HD12 ' A' ' 70' ' ' ILE . 2.3 pp -117.24 50.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.864 ' HB2' HG21 ' A' ' 60' ' ' ILE . 0.2 OUTLIER 162.2 62.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 109.608 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.671 HG21 ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -110.1 55.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 38.8 p -103.19 175.81 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 73' ' ' SER . . . 172.95 85.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.833 ' ND2' HD22 ' A' ' 128' ' ' LEU . 14.2 m-80 -157.25 -43.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 10.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -62.93 105.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 10.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -92.04 -69.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 10.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 163.19 -60.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 10.0 110.315 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.1 Cg_endo -75.06 44.65 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 10.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 31.57 51.84 0.31 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 10.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -82.83 176.67 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 10.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.893 ' O ' HD13 ' A' ' 83' ' ' LEU . 72.3 m -91.62 151.74 20.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 10.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -131.54 155.05 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.839 ' H ' HG23 ' A' ' 165' ' ' ILE . . . -159.25 72.87 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.125 . . . . 10.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.72 ' HD1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -103.39 165.49 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 10.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER 161.59 126.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 10.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 163' ' ' PHE . 1.7 mp -67.38 108.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 174.19 15.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 10.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 41.81 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' GLY . 11.0 ptmt -84.29 169.82 14.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . -51.42 -173.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 10.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.562 ' CB ' HG21 ' A' ' 164' ' ' ILE . 5.3 t -146.21 136.05 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 10.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 188' ' ' ALA . 14.5 m 78.22 84.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 10.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 95' ' ' ARG . 9.1 p -152.41 -52.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.506 ' N ' HG13 ' A' ' 94' ' ' VAL . 30.8 mmt180 -145.2 140.16 15.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 10.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.42 141.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 54.17 104.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -55.73 24.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 10.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -140.18 151.66 45.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.985 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.6 -77.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.5 -106.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 10.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.85 -173.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 10.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -173.32 145.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 10.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.07 109.35 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 130.99 13.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 10.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.24 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.7 t30 58.09 84.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 10.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.43 59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 10.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 50.64 -165.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 10.0 110.253 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.95 12.64 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 10.0 109.572 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.3 125.05 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 10.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.14 25.01 3.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' GLY . 2.8 m120 -138.9 18.3 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.703 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 63.7 t30 -65.96 -40.36 37.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 10.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 116' ' ' ASN . 18.3 Cg_endo -74.96 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.772 . . . . 10.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 ptm -65.55 -25.91 67.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 10.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ASN . . . 110.96 123.31 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.147 . . . . 10.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 119' ' ' GLY . 5.1 p-80 -37.49 108.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 10.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -29.0 9.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.621 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 61.74 -97.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 10.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.93 13.19 8.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.09 . . . . 10.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 t0 57.85 170.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 10.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.0 156.28 69.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.587 ' HG2' HD12 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 10.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.64 78.76 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.833 HD22 ' ND2' ' A' ' 75' ' ' ASN . 12.9 mt -136.42 123.23 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 133' ' ' ASP . 0.5 OUTLIER -142.33 138.36 31.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 10.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.709 HG22 HD21 ' A' ' 83' ' ' LEU . 2.1 t -59.58 -145.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 10.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 132' ' ' ALA . . . 59.17 26.02 60.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 131' ' ' GLY . . . 90.06 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 10.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.495 ' CB ' ' HG3' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -46.53 -26.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 10.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 76' ' ' SER . . . -66.73 -29.02 74.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 10.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -83.53 74.63 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 10.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.1 t -114.03 110.75 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 137' ' ' ASP . 6.7 p-10 -77.28 99.53 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.947 ' C ' HD13 ' A' ' 139' ' ' ILE . 4.2 m -80.8 100.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.947 HD13 ' C ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -133.8 18.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 10.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.19 20.5 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -146.56 49.46 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 145' ' ' THR . . . -142.59 131.02 11.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.453 ' O ' ' OD1' ' A' ' 144' ' ' ASP . 18.3 Cg_endo -74.97 -43.06 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 10.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 143' ' ' PRO . 0.1 OUTLIER 176.35 69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.774 ' OG1' HD22 ' A' ' 68' ' ' LEU . 43.6 p -85.39 69.41 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -72.27 96.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 109.998 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.414 ' C ' ' HG3' ' A' ' 148' ' ' LYS . 13.9 mt -44.57 -38.21 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 10.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.552 ' O ' ' CE ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -178.14 60.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -146.9 -80.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 146' ' ' SER . . . -37.73 -45.21 1.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 10.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.64 58.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 10.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 163.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 153' ' ' LEU . 2.9 pp -73.43 66.83 1.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 10.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -99.67 10.31 41.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -77.76 -14.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.848 HD12 ' OG ' ' A' ' 161' ' ' SER . 0.0 OUTLIER -105.45 -168.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.41 82.41 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 68.67 -72.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 10.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -147.87 46.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.61 76.44 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.848 ' OG ' HD12 ' A' ' 156' ' ' LEU . 0.5 OUTLIER -119.98 5.95 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 10.0 110.009 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.631 ' HB2' ' HG ' ' A' ' 189' ' ' LEU . . . -83.13 136.3 34.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 10.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 163' ' ' PHE . 0.3 OUTLIER -116.73 92.15 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 10.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 164' ' ' ILE . 0.1 OUTLIER -86.77 123.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.839 HG23 ' H ' ' A' ' 84' ' ' GLY . 4.9 mp -85.75 126.45 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 10.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 0.4 OUTLIER -165.97 175.94 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 10.0 109.583 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 1.5 mt-10 84.13 -10.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 2.2 mt-30 -146.77 164.49 32.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 86.47 148.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 10.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 179' ' ' ASN . 6.4 p-10 165.2 119.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 172' ' ' TYR . 2.3 t0 177.46 -163.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 10.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.444 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 0.1 OUTLIER 69.77 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 172' ' ' TYR . 0.8 OUTLIER -166.27 75.51 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 10.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.526 HG23 ' HA2' ' A' ' 178' ' ' GLY . 0.1 OUTLIER -114.82 55.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 10.0 110.37 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 174' ' ' THR . 0.9 OUTLIER 54.11 170.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.5 3.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 10.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.35 -74.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.526 ' HA2' HG23 ' A' ' 174' ' ' THR . . . 131.55 129.67 3.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 10.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.518 HD21 HD11 ' A' ' 184' ' ' ILE . 0.2 OUTLIER -67.43 -142.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 179' ' ' ASN . 3.7 p 85.52 53.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 10.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.62 ' O ' ' HB3' ' A' ' 182' ' ' ALA . . . -179.2 127.15 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.642 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 78.91 154.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 10.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.46 116.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 182' ' ' ALA . 1.2 mp -113.1 -39.04 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.4 p -129.69 133.6 64.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 146.34 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 10.0 108.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -114.19 -20.32 5.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.559 1.162 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . 60.64 117.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 10.0 109.256 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 189' ' ' LEU . 3.3 pp -155.04 58.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.26 33.01 2.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 60.5 98.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.568 1.168 . . . . 10.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -148.98 106.25 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 10.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -173.0 126.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 10.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 56.43 176.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 110.283 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 165.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 10.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 10.0 110.315 -179.975 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 190' ' ' LEU . 7.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 61.8 t -93.07 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -98.91 47.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 10.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -80.82 -7.64 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 110.42 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m 50.19 64.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.93 25.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 10.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 14.6 m-85 47.85 22.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.78 -164.5 12.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.133 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 18.2 p80 41.22 86.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 10.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 40.0 t60 -117.78 160.59 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.875 HG12 ' HA3' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -122.82 116.86 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.63 89.56 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 10.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.884 ' CD1' HD11 ' A' ' 58' ' ' ILE . 3.2 mt -86.54 100.4 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.62 HG12 HG21 ' A' ' 185' ' ' VAL . 5.0 t -122.4 155.24 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.766 ' ND2' HD11 ' A' ' 77' ' ' LEU . 8.0 m-80 -112.02 -17.6 12.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 82.96 -7.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 10.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' ND2' ' A' ' 179' ' ' ASN . 26.5 mt-10 -97.11 -74.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 10.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.49 -75.23 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -179.13 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 10.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.7 167.49 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -124.1 19.8 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -149.62 18.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 10.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' C ' HD12 ' A' ' 58' ' ' ILE . 16.8 p90 -165.93 166.62 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 10.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.884 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -130.65 108.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 10.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -135.99 86.14 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -135.09 144.36 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.67 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 175.19 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -150.78 158.13 43.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 10.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -148.5 -173.18 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -157.68 -103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.22 -35.67 7.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 67' ' ' GLY . 5.0 mm-40 -99.69 -170.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 10.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.944 ' C ' HD13 ' A' ' 68' ' ' LEU . . . -24.85 -99.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 10.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 ' O ' ' A' ' 145' ' ' THR . 0.0 OUTLIER -159.41 139.55 11.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 10.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.17 59.35 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.064 HD11 HD12 ' A' ' 139' ' ' ILE . 1.1 pp -79.93 152.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 10.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 60' ' ' ILE . 9.8 m170 -113.55 63.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 60' ' ' ILE . 1.3 mt -79.98 99.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 137' ' ' ASP . 82.7 p -153.79 162.27 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 10.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 55' ' ' VAL . . . -129.02 167.63 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 10.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -14.74 50.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 10.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.882 ' HA ' HD11 ' A' ' 83' ' ' LEU . 3.4 t 45.84 56.56 5.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 10.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.766 HD11 ' ND2' ' A' ' 49' ' ' ASN . 7.2 mt 34.49 -91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.1 OUTLIER 163.46 -55.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 10.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.04 109.21 2.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 10.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 30.84 65.97 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 10.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' ' OG ' ' A' ' 76' ' ' SER . . . -53.8 150.37 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 10.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 168' ' ' GLN . 3.1 m -145.77 59.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 10.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -109.21 116.2 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.19 117.43 5.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 10.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -98.73 138.48 35.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 10.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' PHE . 6.4 p-80 167.89 123.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.811 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -84.72 106.35 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.9 m-85 -156.7 76.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 1.1 mt-10 179.69 -171.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -146.05 83.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 10.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' LYS . . . 45.63 99.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 10.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.72 124.28 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.734 . . . . 10.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 134.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 10.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t 64.32 94.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 60.0 89.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 110.253 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.764 . . . . 10.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.9 OUTLIER 81.81 24.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 10.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 97' ' ' ASP . 0.3 OUTLIER 71.55 -58.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 10.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -39.75 125.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 10.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -159.93 157.98 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.53 90.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -156.59 -107.33 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 10.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.94 100.37 2.04 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.71 9.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 10.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 51.86 80.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 10.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.08 138.55 97.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' ASN . 18.4 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 60.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 10.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' PRO . 2.8 p30 -56.97 -46.91 81.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -179.8 116.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 10.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 116' ' ' ASN . 2.8 mt-10 70.09 -61.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 10.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.54 ' HA ' ' CG ' ' A' ' 120' ' ' HIS . 3.3 t60 69.01 92.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 10.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.58 146.25 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -92.98 8.53 39.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 10.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -151.86 55.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 10.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 111' ' ' GLU . 6.6 m120 -124.12 162.86 39.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 10.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -20.26 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 10.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 6.8 mmt -106.46 -7.55 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 10.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 46.87 -174.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.54 ' CG ' ' HA ' ' A' ' 112' ' ' HIS . 3.4 p-80 -157.47 154.86 29.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 10.0 109.609 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.444 ' CG ' ' C ' ' A' ' 120' ' ' HIS . 8.7 m80 -154.73 173.66 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 10.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.7 -85.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -145.1 -45.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.88 157.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 10.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.833 HD11 ' OE1' ' A' ' 129' ' ' GLU . 0.6 OUTLIER -106.9 156.78 36.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 10.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.78 ' O ' HD23 ' A' ' 128' ' ' LEU . 3.6 m-20 -81.32 74.94 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 127' ' ' ASN . 9.6 mt -148.49 59.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.833 ' OE1' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -155.76 58.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 10.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.736 HG13 ' CG ' ' A' ' 133' ' ' ASP . 1.5 m -164.34 179.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.736 ' N ' HG23 ' A' ' 130' ' ' VAL . . . -35.87 104.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 10.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 135' ' ' LYS . . . 40.43 32.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 10.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.736 ' CG ' HG13 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -68.19 -14.09 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.528 ' H ' ' CB ' ' A' ' 76' ' ' SER . . . -88.22 2.79 85.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 10.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.616 ' HG3' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -80.58 56.88 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 72' ' ' ILE . 1.5 t -127.67 120.1 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.731 ' C ' HG23 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -137.29 177.01 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.731 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 64.11 154.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 1.064 HD12 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -129.52 128.49 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 16.5 mtp -84.81 88.16 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 140' ' ' MET . 28.1 t30 82.86 95.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.667 ' HB1' ' OG1' ' A' ' 145' ' ' THR . . . -82.8 134.36 47.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 10.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 142' ' ' ALA . 18.2 Cg_endo -75.06 -61.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 10.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.56 59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 10.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.959 ' O ' HD11 ' A' ' 68' ' ' LEU . 2.6 p -95.44 59.91 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 10.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 153' ' ' LEU . 62.8 p -78.29 109.05 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 10.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 9.0 mt -59.87 -29.27 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 10.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -163.3 119.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -78.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 10.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.61 -43.01 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 10.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.467 ' O ' ' CD ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -104.55 -37.92 6.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 0.78 . . . . 10.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -178.54 173.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -32.91 -58.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 153' ' ' LEU . 11.0 t-20 76.79 16.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.78 ' C ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -115.56 -33.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.872 ' CD2' HD13 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -83.64 -152.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 159' ' ' ASP . 18.6 t70 -86.16 42.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.44 -61.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 10.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 157' ' ' ASP . 0.3 OUTLIER -83.17 -60.47 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 156' ' ' LEU . . . 167.72 -162.8 36.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 10.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.51 ' CB ' HG12 ' A' ' 87' ' ' ILE . 2.5 t -164.25 -162.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 10.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.401 ' HA ' HD23 ' A' ' 190' ' ' LEU . . . -156.02 148.27 23.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 10.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.21 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.402 HG22 ' HB3' ' A' ' 166' ' ' HIS . 15.9 mt -87.57 116.37 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 10.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 83' ' ' LEU . 2.8 mt -93.37 60.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 10.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 183' ' ' ARG . 15.1 p-80 -91.46 169.72 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 10.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 70.38 13.94 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 10.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -82.32 176.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 110.259 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -171.99 -166.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 10.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.96 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 10.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -69.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.431 ' O ' ' CB ' ' A' ' 173' ' ' LEU . 0.9 OUTLIER -178.36 55.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 172' ' ' TYR . 0.3 OUTLIER 82.4 87.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 1.3 t -67.13 126.76 30.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 10.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.5 ' N ' ' CD ' ' A' ' 176' ' ' PRO . 0.7 OUTLIER 163.83 -52.83 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 10.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' A' ' 177' ' ' SER . 18.4 Cg_endo -74.95 8.74 2.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 3.3 p 93.68 41.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 10.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 179' ' ' ASN . . . -76.17 -82.52 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 178' ' ' GLY . 1.8 m-80 -171.51 121.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 168' ' ' GLN . 5.0 t -104.57 -65.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 10.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -168.64 -133.21 1.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.472 1.108 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 184' ' ' ILE . . . 53.89 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 10.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 166' ' ' HIS . 3.4 mtm105 -73.44 133.4 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 168' ' ' GLN . 0.0 OUTLIER -126.03 -97.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.62 HG21 HG12 ' A' ' 48' ' ' VAL . 2.4 t -101.44 147.41 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 187' ' ' GLY . 0.5 OUTLIER -137.5 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 108.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.875 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -55.07 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.123 . . . . 10.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 187' ' ' GLY . . . 151.68 83.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 10.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 192' ' ' ASN . 2.3 mt 67.94 132.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -136.13 43.53 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 156.94 66.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 10.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.692 ' HB2' HD22 ' A' ' 189' ' ' LEU . 0.8 OUTLIER 172.04 174.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.7 174.95 10.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.36 160.15 35.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.11 -179.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 10.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.16 137.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 10.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -157.52 169.26 25.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 10.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 p -151.7 164.59 36.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -164.52 171.82 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.42 -89.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 10.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -100.86 110.96 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 10.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.08 -164.94 39.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.099 . . . . 10.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 190' ' ' LEU . 3.6 m80 -69.82 -169.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 10.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -159.95 166.6 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' H ' ' A' ' 163' ' ' PHE . 0.2 OUTLIER -101.84 114.52 41.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 10.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CA ' ' A' ' 187' ' ' GLY . 0.0 OUTLIER -74.88 91.74 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 58' ' ' ILE . 4.5 mt -97.31 93.42 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.761 ' N ' HG23 ' A' ' 185' ' ' VAL . 2.6 t -140.83 128.04 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 10.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -100.43 168.34 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -33.7 70.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.71 -69.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -40.85 -46.24 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 12.0 tttp 92.46 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 10.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HA ' HG22 ' A' ' 48' ' ' VAL . . . 178.86 118.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 10.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.982 HG23 ' HB1' ' A' ' 74' ' ' ALA . 8.7 m -83.97 -9.59 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 10.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 57' ' ' PHE . . . 138.18 -113.4 0.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 10.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.716 ' H ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER 163.51 163.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 10.0 110.964 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 47' ' ' LEU . 3.9 mp -99.05 104.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -115.87 114.53 24.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 70' ' ' ILE . 15.9 mt -103.37 114.63 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -108.14 79.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.945 ' HA ' HD13 ' A' ' 68' ' ' LEU . 1.6 mt-10 -36.19 154.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 110.335 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.76 ' H ' HD22 ' A' ' 68' ' ' LEU . 51.7 m -115.75 -81.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 10.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -65.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.22 -51.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 10.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 68' ' ' LEU . 18.2 pt-20 -83.82 -164.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.704 ' CA ' ' HB3' ' A' ' 142' ' ' ALA . . . -31.51 135.85 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 10.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.945 HD13 ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -129.76 166.01 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -85.14 66.09 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 10.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.883 HG21 HG23 ' A' ' 60' ' ' ILE . 2.5 pp -81.47 127.12 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' H ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -100.14 71.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 10.0 109.606 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.782 ' HB ' HG23 ' A' ' 58' ' ' ILE . 1.2 pp -100.24 71.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.678 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.6 p -108.45 132.01 54.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.982 ' HB1' HG23 ' A' ' 55' ' ' VAL . . . 163.94 126.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -152.76 -68.94 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.595 ' CB ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -168.2 79.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -83.79 114.53 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 10.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.516 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER 160.68 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 78' ' ' ARG . 18.4 Cg_endo -75.0 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 10.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -149.21 42.32 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 10.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 80' ' ' GLY . . . 146.07 62.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.574 ' O ' HD13 ' A' ' 83' ' ' LEU . 42.2 m -160.15 58.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD1' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -119.51 119.52 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 10.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.15 134.5 8.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -153.53 138.31 17.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 10.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' ILE . 59.4 t-80 -166.43 110.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 10.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' HIS . 8.3 mm -38.88 111.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 10.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 174.41 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.072 . . . . 10.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -118.39 64.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.84 82.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.78 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 10.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -153.65 -60.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.753 . . . . 10.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.66 139.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 10.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 94' ' ' VAL . 75.8 t 65.72 72.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 64.4 94.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 10.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 10.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t0 173.7 87.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 10.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 54.7 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.82 137.95 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.77 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.78 68.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 10.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.08 118.22 0.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 10.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.85 157.46 24.63 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 10.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 10.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -89.25 87.93 7.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 10.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 176.26 89.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -75.0 55.73 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 10.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.7 mp 37.9 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.47 -82.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 -120.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 10.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 51.76 -175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 10.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 10.4 t-160 54.31 55.69 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.01 -104.2 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 0.4 OUTLIER -39.43 -51.82 2.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 0.755 . . . . 10.0 110.995 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 50.0 t30 83.64 92.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.518 ' CB ' ' HD3' ' A' ' 117' ' ' PRO . 1.5 t30 168.88 -53.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 10.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 116' ' ' ASN . 18.2 Cg_endo -74.99 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 10.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 28.44 43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 117' ' ' PRO . . . -124.15 -175.52 14.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 10.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 178.15 163.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -44.15 -61.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.616 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -175.02 36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.03 -27.33 9.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.4 169.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 10.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 113.9 54.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.8 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.476 1.777 . . . . 10.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.696 ' O ' HD12 ' A' ' 128' ' ' LEU . 4.4 m120 61.4 167.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 127' ' ' ASN . 0.2 OUTLIER 84.02 83.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 10.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.827 ' C ' HG12 ' A' ' 130' ' ' VAL . 1.4 pt-20 -123.73 66.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 10.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER 163.42 125.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 10.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 76' ' ' SER . . . -42.44 -42.41 4.47 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 10.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 135' ' ' LYS . . . -55.83 -41.65 74.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 10.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.691 ' HB2' HG13 ' A' ' 130' ' ' VAL . 1.2 t70 -45.59 -31.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 10.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.64 -24.07 65.79 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 10.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' ALA . 2.5 mttt -86.28 56.61 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.47 126.24 74.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.771 ' C ' HG23 ' A' ' 138' ' ' VAL . 20.4 p-10 -174.09 -178.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.771 HG23 ' C ' ' A' ' 137' ' ' ASP . 0.2 OUTLIER 67.44 137.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 10.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.666 HG13 ' HB2' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -138.77 168.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 141' ' ' ASN . 0.0 OUTLIER -134.71 103.14 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 10.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 140' ' ' MET . 3.1 t30 79.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.704 ' HB3' ' CA ' ' A' ' 67' ' ' GLY . . . -84.37 132.7 46.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 10.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.56 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 10.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.425 ' C ' ' OD2' ' A' ' 144' ' ' ASP . 31.8 t0 -179.98 74.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.501 ' OG1' ' HB1' ' A' ' 142' ' ' ALA . 0.7 OUTLIER -97.84 61.23 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 10.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.942 ' HB2' HD23 ' A' ' 153' ' ' LEU . 0.7 OUTLIER 77.57 4.96 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 10.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -121.79 71.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.406 ' HB2' ' CG ' ' A' ' 144' ' ' ASP . 0.0 OUTLIER -139.33 179.74 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.68 8.74 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.34 -64.59 0.28 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 -41.18 13.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 10.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.561 ' O ' ' C ' ' A' ' 153' ' ' LEU . 3.4 mttt 62.93 116.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.942 HD23 ' HB2' ' A' ' 146' ' ' SER . 0.0 OUTLIER 25.56 78.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -88.99 -11.91 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 10.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.741 HG23 HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -109.22 -23.31 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.741 HD22 HG23 ' A' ' 155' ' ' ILE . 2.9 mm? -83.75 -125.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.557 ' O ' HD13 ' A' ' 153' ' ' LEU . 5.0 t0 -112.78 145.24 40.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 10.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -22.05 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.66 -68.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 157' ' ' ASP . . . -144.87 -122.35 1.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 163' ' ' PHE . 0.0 OUTLIER -153.8 112.01 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 10.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 189' ' ' LEU . . . -109.37 104.73 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.691 ' H ' HG11 ' A' ' 45' ' ' VAL . 10.3 m-85 -109.75 80.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.23 118.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.481 ' HB ' HG13 ' A' ' 185' ' ' VAL . 3.4 mp -88.71 139.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 167' ' ' GLU . 1.5 p-80 -179.86 178.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 166' ' ' HIS . 6.7 mt-10 85.72 -31.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.725 ' O ' ' HB3' ' A' ' 169' ' ' ALA . 71.7 mt-30 -156.89 174.93 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 168' ' ' GLN . . . 87.02 -158.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 10.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.603 ' OD1' HD11 ' A' ' 184' ' ' ILE . 0.0 OUTLIER 74.28 -66.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 10.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.5 t70 176.77 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.15 56.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 10.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 174' ' ' THR . 2.9 mt -122.51 -5.18 8.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 10.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 175' ' ' ASN . 9.9 t 43.4 -145.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 110.369 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.502 ' CB ' ' CD ' ' A' ' 176' ' ' PRO . 1.2 m-20 56.52 178.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 10.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 175' ' ' ASN . 18.3 Cg_endo -74.99 54.86 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.562 1.822 . . . . 10.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 9.6 t 171.85 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 10.0 110.03 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -170.08 114.46 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.625 ' O ' ' CB ' ' A' ' 180' ' ' SER . 0.7 OUTLIER -57.57 -68.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 10.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 179' ' ' ASN . 3.0 t 96.05 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 10.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 170' ' ' ASP . . . 177.9 -130.33 1.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 10.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.43 166.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 111.77 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 10.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.603 HD11 ' OD1' ' A' ' 170' ' ' ASP . 0.2 OUTLIER -132.33 -37.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 10.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.761 HG23 ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -110.86 124.33 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 10.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.19 139.81 18.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 10.0 108.305 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.629 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -105.68 -169.21 23.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 10.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 189' ' ' LEU . . . -126.19 77.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 10.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 162' ' ' ALA . 0.3 OUTLIER -35.25 149.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 10.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.933 ' O ' HD12 ' A' ' 190' ' ' LEU . 4.4 pp -81.65 111.28 17.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 10.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -74.7 -65.62 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 10.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.0 168.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.736 . . . . 10.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -171.7 91.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 10.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 65.03 88.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 10.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.38 130.61 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 10.0 110.301 -179.969 . . . . . . . . 1 1 . 1 stop_ save_