data_1wfo_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 1wfo _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 ' 27' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.25 -166.8 31.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.1 17.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -88.58 160.66 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.62 44.79 4.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 4.5 mm -92.69 103.98 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.2 mm? -128.38 150.96 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 118' ' ' VAL . 67.7 m-85 -114.04 91.42 22.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.9 tt0 -113.11 114.54 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 118' ' ' VAL . 65.4 t -141.4 114.73 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 43' ' ' SER . 8.8 mtp180 -108.34 -163.76 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -77.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -101.92 34.06 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 2.9 p -168.95 113.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.0 169.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.1 ttm-85 -156.94 106.14 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 1.2 pt? -105.25 170.44 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.88 140.2 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.584 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 28.1 p90 -131.93 179.09 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -135.92 160.29 67.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 153.3 41.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.99 119.36 5.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.2 -28.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.43 85.44 16.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.75 2.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 42.29 44.46 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.7 134.26 2.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.2 128.32 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG2' ' CE1' ' A' ' 61' ' ' TYR . 26.8 mm -74.93 129.53 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' HD11 ' A' ' 59' ' ' LEU . 2.6 mp -96.95 -25.15 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' HA ' ' N ' ' A' ' 82' ' ' PRO . . . 174.65 -174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.435 ' CE1' ' CG2' ' A' ' 58' ' ' ILE . 27.0 m-85 -137.15 174.14 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.9 tt0 -141.32 134.41 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.584 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.91 104.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 p -90.65 123.19 34.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -118.69 127.79 53.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -155.1 160.87 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 98' ' ' TYR . 5.5 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.81 128.99 46.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 63' ' ' ILE . 2.2 mt -107.45 172.66 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.58 168.62 26.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.427 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.96 -4.25 15.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -118.96 33.41 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.44 121.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.03 -22.44 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.523 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -126.52 172.09 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' HG23 ' A' ' 63' ' ' ILE . 47.9 t80 -160.42 159.58 31.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.9 m -121.46 130.61 53.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.9 114.95 28.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -116.2 152.07 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 55.18 3.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 2.7 mt -121.46 141.89 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.66 129.32 83.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.2 39.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.76 48.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.1 m -157.4 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 119' ' ' VAL . 11.6 t -127.89 139.34 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.567 ' CD1' HD21 ' A' ' 67' ' ' LEU . 20.5 m-85 -124.44 136.63 54.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 100' ' ' PHE . 1.6 tm? -97.4 119.59 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CD1' HG13 ' A' ' 118' ' ' VAL . 18.0 m-85 -104.14 112.18 25.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp85 -104.18 112.57 25.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 48' ' ' TRP . 18.8 mt -97.75 136.06 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.8 m -146.56 161.44 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.67 157.26 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 10.2 tt0 -119.95 125.54 48.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -123.6 -168.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -13.03 60.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 2.8 mmmt -95.74 -34.9 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.63 -144.11 12.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 73.9 m95 -105.36 122.54 46.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.3 -153.75 25.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.424 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -48.9 161.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.84 135.03 39.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.8 mt-10 -99.59 125.5 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.471 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -136.03 127.24 28.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.59 150.38 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.581 HG13 ' CD1' ' A' ' 100' ' ' PHE . 5.3 p -152.62 130.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 97' ' ' VAL . 3.3 t -89.88 154.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 p -107.69 113.82 27.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 6.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.75 19.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -165.89 41.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.34 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.95 108.26 2.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -91.63 162.12 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 38.45 5.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 4.3 mm -87.03 111.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 68.3 mt -134.53 149.87 50.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 118' ' ' VAL . 77.4 m-85 -113.65 91.91 22.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -115.92 116.5 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 54.6 t -140.48 124.57 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 mtp180 -119.12 -164.51 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 67.2 p -88.22 20.2 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -155.44 137.97 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.62 174.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.6 ttm-85 -161.37 108.74 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.92 169.88 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.516 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -138.54 140.44 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.598 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 27.5 p90 -131.56 -179.59 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -136.76 162.18 57.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 152.76 41.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.03 7.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.57 84.68 15.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.76 3.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER 41.25 40.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.37 130.07 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -61.17 111.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -58.34 130.39 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.47 -23.52 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.62 -170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.544 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -143.19 172.89 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.0 tt0 -138.4 139.42 38.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.598 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -132.05 116.99 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.1 p -113.23 129.92 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -125.31 129.99 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.606 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 10.6 ptt85 -162.01 138.43 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -97.22 131.74 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.3 mt -111.46 172.26 6.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.54 168.27 28.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.422 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -75.06 -5.93 17.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.85 32.57 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.15 117.0 33.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.35 -22.44 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -142.94 167.31 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 63' ' ' ILE . 26.1 t80 -148.9 149.85 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 m -107.18 122.91 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.07 114.72 29.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -116.31 158.59 23.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 63.76 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.0 OUTLIER -125.01 161.47 26.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.6 ttmt -90.13 125.95 58.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -75.05 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 59.68 45.04 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.475 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.27 -177.19 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 119' ' ' VAL . 23.6 t -122.87 127.77 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.686 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.7 m-85 -116.35 131.14 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -96.58 122.21 39.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 118' ' ' VAL . 13.2 m-85 -102.35 112.85 25.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.2 ttp180 -101.4 109.01 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 48' ' ' TRP . 23.8 mt -97.15 137.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.5 m -148.33 155.8 41.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.43 156.65 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 2.0 tt0 -117.21 126.11 52.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 p -123.96 -168.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.5 -14.08 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 13.3 mmmm -92.92 -37.03 12.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.54 -137.3 6.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 83.5 m95 -110.66 115.81 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.26 -144.33 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 169.23 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.96 133.13 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.31 121.75 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.431 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 51.9 mt-10 -97.47 127.35 43.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -133.66 120.0 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.65 142.11 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 100' ' ' PHE . 7.6 p -146.46 125.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.4 t -84.91 145.77 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 p -98.23 115.37 28.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.9 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.98 34.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.61 -173.43 42.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.98 24.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.93 110.86 3.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -92.76 161.79 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 49.88 3.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mm -94.51 120.13 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 62.7 mt -142.6 151.72 41.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 76.6 m-85 -114.91 91.45 26.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.01 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ARG . 21.8 tt0 -113.82 117.89 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 69.1 t -140.71 119.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.1 mmt180 -106.7 -165.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -78.54 -74.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -90.21 29.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 t -175.67 153.89 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.946 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' CG1' ' C ' ' A' ' 43' ' ' SER . 3.2 m -152.2 175.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.7 ttm-85 -155.74 104.03 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -104.81 170.45 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -138.24 150.36 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 33.3 p90 -140.14 -176.09 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.51 161.64 57.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.56 39.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.12 8.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.83 -28.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.6 85.7 17.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.8 3.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.49 44.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.58 134.95 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.92 111.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.558 HG23 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.92 136.83 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.4 mt -110.58 -23.9 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.51 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE1' HG23 ' A' ' 58' ' ' ILE . 26.6 m-85 -141.88 168.99 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 57.8 tt0 -131.87 132.52 43.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.571 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -123.89 105.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.2 p -99.37 121.17 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -116.6 139.17 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -160.31 153.43 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 98' ' ' TYR . 5.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -90.09 130.59 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.5 mt -109.77 171.35 7.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.16 168.7 25.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.432 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -75.04 -7.29 18.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -115.44 34.41 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.77 120.12 39.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -13.56 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.508 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.3 pt20 -154.15 165.12 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 63' ' ' ILE . 62.6 t80 -143.8 152.81 41.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.8 m -115.1 129.0 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.27 140.1 38.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -144.34 136.2 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.92 49.14 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mt -114.87 166.17 12.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 5.3 ttmm -92.84 127.57 47.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.95 156.75 43.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.07 56.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.426 ' CB ' HD23 ' A' ' 67' ' ' LEU . 69.7 m -164.33 -175.34 3.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 8.3 t -123.36 138.78 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.565 ' CD1' HD22 ' A' ' 67' ' ' LEU . 21.9 m-85 -126.53 133.71 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' N ' ' A' ' 100' ' ' PHE . 1.5 tm? -95.46 121.12 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.634 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 30.7 m-85 -107.37 112.72 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.2 ttp85 -103.71 114.69 29.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.79 139.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.6 m -147.9 160.25 42.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.558 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -112.3 160.35 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -124.26 120.45 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.46 -168.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 3.9 ptm180 -78.21 2.6 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' CB ' HG13 ' A' ' 27' ' ' VAL . 2.3 mppt? -102.97 -46.29 4.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.7 -121.4 1.05 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.8 m95 -128.82 109.27 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -73.73 -163.77 9.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.23 164.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.54 137.74 42.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.421 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.7 120.78 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 9.6 mt-10 -97.1 124.32 41.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -136.04 123.51 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.4 154.34 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.634 ' CG1' ' CE1' ' A' ' 100' ' ' PHE . 4.7 p -156.53 125.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 97' ' ' VAL . 3.0 t -81.98 147.7 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.4 p -101.49 112.65 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.5 11.15 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.1 -167.85 40.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.02 136.33 20.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.97 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -89.76 163.15 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.63 45.17 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG22 ' CB ' ' A' ' 116' ' ' ALA . 6.8 mm -92.32 117.11 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 94.8 mt -142.27 155.15 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.1 m-85 -118.1 93.5 44.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ARG . 48.1 tt0 -119.83 109.59 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -138.74 113.69 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp85 -102.99 -162.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -86.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.2 p -87.45 24.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.1 p -162.42 114.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.5 m -125.99 163.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.2 ttm-85 -149.67 113.55 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -114.04 169.74 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -136.08 160.04 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 33.6 p90 -149.62 178.72 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -134.35 162.34 58.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 150.81 38.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -74.99 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.47 -28.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.04 85.48 18.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 43.01 46.17 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.53 129.24 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.19 113.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.572 HG23 ' CE1' ' A' ' 61' ' ' TYR . 45.0 mm -58.7 134.0 23.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.5 mt -108.03 -23.14 12.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' HA ' ' N ' ' A' ' 82' ' ' PRO . . . 174.65 -171.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 58' ' ' ILE . 25.5 m-85 -142.35 174.1 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.6 tt0 -138.45 133.76 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.16 106.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -102.17 120.84 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -123.23 136.57 54.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -161.97 144.21 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' CE2' ' A' ' 98' ' ' TYR . 10.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -96.59 127.96 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt -105.91 171.05 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.01 168.62 26.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.95 -9.25 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 p -112.55 33.95 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -112.38 -23.47 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 5.6 pt20 -149.72 168.81 22.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.546 ' CD1' HG22 ' A' ' 63' ' ' ILE . 23.9 t80 -151.17 137.14 18.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.6 m -101.93 125.36 48.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' SER . . . -101.09 123.77 45.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.3 p -122.79 156.52 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.52 63.08 2.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -128.11 171.41 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -102.77 130.17 24.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.7 39.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.51 43.31 3.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 20.0 m -149.65 -177.2 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 119' ' ' VAL . 9.8 t -126.26 138.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.589 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 35.8 m-85 -126.48 128.42 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -92.2 116.3 28.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 118' ' ' VAL . 25.8 m-85 -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.479 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 6.9 ttt180 -103.55 112.08 24.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.4 mt -97.98 138.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.7 m -148.55 157.7 43.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -112.25 158.3 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.3 tt0 -122.42 122.93 40.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 p -123.61 -167.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.76 -17.65 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 12.7 mmmm -87.19 -43.21 12.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 152.65 -135.14 4.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 88.0 m95 -112.03 117.05 31.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.38 -152.0 7.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -54.85 163.68 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.95 135.65 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.9 122.14 37.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 24.7 mt-10 -99.63 124.33 44.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -134.44 122.11 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.7 mt -91.23 144.87 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.3 p -148.74 126.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 97' ' ' VAL . 3.4 t -85.86 149.91 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 p -99.47 112.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 10.9 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.68 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.74 -171.47 34.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' CB ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.36 21.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.05 110.74 3.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -90.67 160.97 15.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 50.83 3.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 116' ' ' ALA . 7.5 mm -95.25 123.75 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 96.6 mt -147.61 151.33 36.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.593 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 79.3 m-85 -114.77 91.42 25.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ARG . 23.9 tt0 -113.6 117.64 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 63.4 t -141.27 123.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 mmt85 -114.4 -169.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.7 p -89.04 32.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 69.7 p -174.78 151.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 43' ' ' SER . 5.2 m -153.68 178.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.6 ttm-85 -159.7 103.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -104.44 170.42 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.515 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.74 151.87 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.589 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 25.6 p90 -143.51 -174.4 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -140.68 161.55 53.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.62 38.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.97 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.99 -28.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.65 85.71 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 45.74 44.14 10.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.28 127.97 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.88 111.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 HG22 ' CE1' ' A' ' 61' ' ' TYR . 46.2 mm -57.82 135.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.15 -24.55 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 177.17 -165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' A' ' 58' ' ' ILE . 16.4 m-85 -147.81 174.3 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.2 tt0 -139.56 132.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.3 102.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -88.77 121.11 30.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -113.44 132.27 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 98' ' ' TYR . 8.4 ptm180 -162.09 -174.79 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 98' ' ' TYR . 10.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.87 133.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 63' ' ' ILE . 2.9 mt -114.24 167.26 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.94 167.72 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.437 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -75.05 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -118.56 34.83 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.88 123.33 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -106.85 -20.4 13.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.8 pt20 -149.61 162.89 39.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' HG21 ' A' ' 63' ' ' ILE . 69.3 t80 -142.87 149.57 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 m -110.61 127.84 55.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.15 140.65 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 p -141.34 138.0 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.56 54.58 2.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 98' ' ' TYR . 5.1 mt -115.91 168.12 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 ttmm -100.62 128.08 30.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.759 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.02 43.23 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -152.63 169.88 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.2 t -111.86 129.87 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.591 ' CD1' HD22 ' A' ' 67' ' ' LEU . 11.5 m-85 -114.02 136.06 53.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 100' ' ' PHE . 1.7 tm? -98.4 116.73 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.56 ' CD1' HG11 ' A' ' 118' ' ' VAL . 17.2 m-85 -102.24 112.85 25.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 7.4 ttt-85 -105.71 115.65 30.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.7 mt -99.95 139.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.5 m -148.24 159.42 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.502 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -113.18 160.19 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 37.1 tt0 -123.61 121.91 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -123.68 -167.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -74.87 -12.36 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 1.7 mmmm -91.51 -44.04 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.1 -127.99 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 87.8 m95 -120.42 114.1 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.41 -156.5 9.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -51.21 163.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -136.07 140.37 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.2 121.25 36.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 121.64 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -132.56 127.49 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.46 148.91 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.593 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 p -153.07 126.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.58 151.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -104.72 111.47 24.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.41 7.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.17 -169.21 34.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.16 21.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.02 110.79 3.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -91.36 161.39 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 42.49 6.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG22 ' CB ' ' A' ' 116' ' ' ALA . 5.3 mm -88.2 103.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.7 mm? -129.41 158.35 39.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 118' ' ' VAL . 81.6 m-85 -120.92 93.54 48.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.98 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.8 tt0 -118.9 111.95 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -139.77 119.36 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.9 mtp180 -107.15 -161.5 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 45.6 p -77.33 5.37 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -140.27 129.45 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.049 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.5 m -139.76 163.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.3 ttm180 -147.43 115.08 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -116.24 169.7 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -133.94 169.06 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 34.2 p90 -160.82 -176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.73 162.74 44.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.14 42.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.568 1.825 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.01 -29.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 85.0 16.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -36.86 2.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.0 42.34 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.99 129.04 1.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -58.17 129.28 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 HG23 ' CE1' ' A' ' 61' ' ' TYR . 23.3 mm -76.13 134.59 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.5 -23.72 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.14 -171.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.504 ' CE1' HG23 ' A' ' 58' ' ' ILE . 30.7 m-85 -137.87 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.4 tt0 -139.07 131.92 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.561 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.52 104.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -93.18 125.87 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.65 124.36 49.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -151.15 153.12 34.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 98' ' ' TYR . 7.7 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -92.62 129.05 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.6 mt -107.84 172.2 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.1 167.48 35.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.416 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.98 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.5 p -118.71 34.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.68 132.8 44.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -24.37 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 7.0 pt20 -145.98 166.23 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' HG23 ' A' ' 63' ' ' ILE . 17.5 t80 -147.16 137.7 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.5 m -100.04 131.01 46.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.22 144.95 31.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 p -148.08 146.22 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.56 50.23 4.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.2 mt -118.35 161.97 19.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -92.62 129.28 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.08 37.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 64.06 45.71 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.5 m -152.77 -175.36 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.446 ' CG2' HG21 ' A' ' 119' ' ' VAL . 13.5 t -128.07 132.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.578 ' CD1' HD21 ' A' ' 67' ' ' LEU . 25.6 m-85 -119.82 133.76 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.5 tm? -94.59 117.65 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CD1' HG13 ' A' ' 118' ' ' VAL . 19.5 m-85 -100.16 112.56 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.8 ttp180 -103.0 112.3 25.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -98.41 136.73 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.8 m -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.28 157.12 23.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.8 tt0 -118.71 125.41 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.88 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -78.56 -4.7 50.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 0.1 OUTLIER -103.5 -30.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.39 -143.06 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 79.6 m95 -108.86 120.42 42.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.67 -153.04 17.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 165.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.89 138.06 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.15 121.9 37.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 10.3 mt-10 -99.64 123.58 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -133.11 127.06 33.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.52 140.58 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 36' ' ' PHE . 8.1 p -145.27 123.44 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 97' ' ' VAL . 3.2 t -80.69 154.65 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 p -103.31 111.25 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 3.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.73 8.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.31 -168.1 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.04 133.07 16.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.96 109.62 2.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -89.43 164.3 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.46 49.81 4.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 4.4 mm -97.08 109.36 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 70.5 mt -129.92 149.23 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.573 ' CE1' HG13 ' A' ' 118' ' ' VAL . 64.4 m-85 -113.93 92.01 24.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.95 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.3 tt0 -113.91 114.74 26.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 118' ' ' VAL . 63.7 t -140.88 110.53 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 mtp85 -104.62 -164.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -90.57 24.82 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.1 p -159.07 130.96 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 92' ' ' LEU . 2.5 m -141.12 174.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.2 ttm-85 -162.05 105.58 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 1.1 pt? -104.48 169.54 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -138.22 130.89 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.589 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 29.3 p90 -120.7 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -135.3 162.41 57.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.92 37.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.35 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.77 -28.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.34 84.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 39.47 42.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.36 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.8 mm -49.83 131.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.531 HG22 ' CE1' ' A' ' 61' ' ' TYR . 10.8 mm -84.02 125.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -97.53 -20.46 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.22 -169.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CE1' HG22 ' A' ' 58' ' ' ILE . 28.8 m-85 -142.4 173.32 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 32.8 tt0 -138.57 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -128.9 119.12 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -115.23 129.96 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -128.34 133.13 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 33.8 ptt180 -162.08 135.7 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.669 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.2 t -97.32 126.24 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.4 mt -106.8 171.08 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.39 167.35 37.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.428 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.96 -4.11 14.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 35.18 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.66 121.75 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -15.16 14.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.9 pt20 -149.1 165.63 31.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.9 t80 -149.86 143.32 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.3 m -102.15 121.55 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.36 115.56 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.3 p -114.26 163.32 15.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.52 65.14 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -124.55 162.07 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 10.9 ttmt -92.13 125.76 55.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.93 163.57 35.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 60.87 44.04 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -151.8 -178.63 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.938 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' HG23 ' A' ' 119' ' ' VAL . 25.7 t -122.34 130.82 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.669 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.3 m-85 -117.21 127.42 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 115' ' ' GLU . 0.6 OUTLIER -93.55 113.75 25.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.583 ' CD1' HG13 ' A' ' 118' ' ' VAL . 11.7 m-85 -95.61 116.51 28.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -105.86 111.25 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.455 HG22 ' CD1' ' A' ' 48' ' ' TRP . 21.6 mt -97.15 137.15 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.0 m -148.06 154.57 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.4 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.67 157.33 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 43.3 tt0 -116.98 120.5 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.5 p -122.98 178.07 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -62.04 -20.11 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -84.57 -38.98 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.99 -132.54 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.5 m95 -114.24 116.92 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.427 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -81.79 -154.99 13.88 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -49.22 167.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.96 132.7 30.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.52 120.38 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 1.8 mp0 -96.32 125.89 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -136.71 120.11 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -87.9 145.92 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.583 HG13 ' CD1' ' A' ' 100' ' ' PHE . 7.5 p -150.47 127.81 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.1 t -84.58 158.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 2.1 p -114.0 114.63 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.428 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.37 42.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.437 1.756 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.41 -171.23 21.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 141.08 26.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.95 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -90.54 160.35 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.45 44.87 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 HG23 ' CB ' ' A' ' 116' ' ' ALA . 5.6 mm -89.08 101.71 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.4 mm? -126.75 151.05 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 86.8 m-85 -115.19 89.42 20.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.6 tt0 -124.3 107.75 11.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.36 115.14 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' SER . 23.1 mtp180 -104.52 -162.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -83.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 p -88.66 26.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 44.6 m -166.43 118.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.5 m -128.67 167.6 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.5 ttm-85 -155.66 115.21 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -113.34 169.93 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.546 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -137.61 139.74 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 32.1 p90 -129.29 -178.73 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -135.45 162.63 56.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.36 40.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.772 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.76 -31.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.51 86.0 17.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.23 42.96 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.16 126.63 1.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.26 127.65 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.5 mm -73.51 133.6 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 3.7 mp -102.74 -27.12 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 178.24 -169.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 104' ' ' ALA . 19.1 m-85 -142.62 172.53 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.539 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.1 tt0 -137.72 132.97 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.57 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.92 107.45 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.454 ' CG2' ' OE1' ' A' ' 62' ' ' GLN . 15.6 p -98.36 125.98 43.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -118.16 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.9 156.24 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 98' ' ' TYR . 13.3 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -88.69 127.41 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 87' ' ' TYR . 2.7 mt -108.16 172.26 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.66 168.17 28.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.99 -5.04 16.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.32 34.87 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.42 130.36 47.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 -24.85 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -145.53 159.25 43.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD1' HG21 ' A' ' 63' ' ' ILE . 19.3 t80 -143.59 135.79 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.0 m -93.42 124.21 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.98 114.92 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -116.94 156.94 26.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.37 52.69 5.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 2.7 mt -120.11 160.39 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.3 130.83 29.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.1 39.21 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 66.2 44.21 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.0 m -152.34 -174.44 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.2 t -127.76 134.59 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' A' ' 120' ' ' THR . 20.0 m-85 -122.08 131.21 53.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.431 HD23 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -94.73 119.01 32.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.541 ' CD1' HG11 ' A' ' 118' ' ' VAL . 17.4 m-85 -102.06 112.1 24.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 7.0 ttp180 -103.22 110.44 22.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.416 HG22 ' CG ' ' A' ' 31' ' ' PRO . 24.0 mt -97.61 136.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.486 ' OG1' ' CB ' ' A' ' 113' ' ' ALA . 18.5 m -148.18 154.33 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.449 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -106.15 161.04 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.4 tt0 -124.63 121.54 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -121.46 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 21.4 ptt180 -75.91 0.01 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 107' ' ' ARG . 2.5 mppt? -99.92 -48.05 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 161.02 -119.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 93.0 m95 -130.61 108.21 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.6 -159.38 4.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 167.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.486 ' CB ' ' OG1' ' A' ' 103' ' ' THR . . . -138.34 144.98 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -99.04 118.94 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.439 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 2.0 mt-10 -98.41 120.52 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -132.8 124.17 27.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.3 141.22 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 8.0 p -145.75 126.25 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.62 148.19 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 98' ' ' TYR . 4.1 p -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.403 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 1.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.66 22.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.65 -169.29 45.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.02 136.03 19.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.51 2.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -89.07 163.27 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG21 ' CB ' ' A' ' 116' ' ' ALA . 4.3 mm -89.39 104.12 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -125.93 155.14 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CE1' HG11 ' A' ' 118' ' ' VAL . 61.8 m-85 -118.3 91.51 40.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.01 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' ARG . 42.0 tt0 -113.78 113.02 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 118' ' ' VAL . 54.0 t -140.06 118.7 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.6 mtp180 -114.76 -163.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -68.34 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 68.2 p -89.93 24.05 2.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -157.68 129.68 7.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 92' ' ' LEU . 2.3 m -142.35 172.52 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.3 ttm-85 -160.7 106.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -106.35 169.43 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.498 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.15 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.577 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 29.3 p90 -133.47 174.75 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.19 160.55 66.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 151.76 39.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.483 1.781 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.02 123.19 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.62 -32.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.19 83.98 16.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -74.95 -34.94 3.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.8 49.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.86 109.44 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.22 107.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 61' ' ' TYR . 34.6 mm -52.88 125.35 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 mt -98.24 -24.09 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 177.26 -170.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -142.25 172.75 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 34.5 tt0 -137.37 135.35 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.577 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -126.43 121.32 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -117.0 123.59 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -124.02 128.32 49.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' LEU . 26.7 ptt180 -161.55 137.75 8.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.94 128.93 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.4 mt -107.96 172.44 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.58 168.88 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.425 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -75.01 -7.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -114.16 33.41 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.968 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.47 118.63 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -16.75 14.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.482 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.1 pt20 -147.21 157.91 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 63' ' ' ILE . 67.3 t80 -143.8 134.4 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -93.0 117.09 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -99.45 114.14 26.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -113.09 158.15 20.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.81 3.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.7 mt -122.51 159.04 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.6 ttmm -89.46 125.08 62.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.99 160.01 40.72 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.99 41.3 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -148.45 -174.32 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.76 125.22 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.674 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.4 m-85 -111.36 129.33 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD23 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -93.42 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' HG11 ' A' ' 118' ' ' VAL . 14.3 m-85 -99.74 112.87 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.4 ttp180 -103.78 111.3 23.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.516 HG22 ' CD1' ' A' ' 48' ' ' TRP . 23.1 mt -97.54 138.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.6 m -148.49 157.1 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -110.49 160.29 16.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 38.6 tt0 -123.55 121.62 36.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -123.09 -169.32 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.34 -13.52 60.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.427 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 13.1 mmmt -91.25 -36.82 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.3 -129.28 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.8 m95 -118.3 115.75 25.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.411 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -76.79 -153.38 5.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -53.27 169.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -137.96 134.14 34.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.77 118.66 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.47 ' CG ' HD23 ' A' ' 99' ' ' LEU . 8.3 mt-10 -96.15 128.28 42.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -137.52 125.64 22.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.57 145.89 24.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.3 p -151.13 126.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.7 t -86.94 151.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.9 p -98.87 110.32 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 166.29 29.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.35 -164.07 39.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.76 18.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -74.99 108.23 2.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -91.77 163.47 14.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.32 6.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.434 HG21 ' CB ' ' A' ' 116' ' ' ALA . 4.2 mm -88.5 104.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.9 mm? -128.88 158.35 39.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 72.5 m-85 -121.33 92.87 48.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 45' ' ' ARG . 59.0 tt0 -118.42 112.41 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.32 115.76 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' SER . 17.5 mtp180 -104.71 -162.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.2 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.9 p -89.34 27.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 3.3 p -166.97 115.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.9 m -126.41 165.48 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.33 117.2 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -119.31 168.51 10.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.502 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -135.59 157.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 37.1 p90 -146.5 175.37 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.74 163.43 50.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.77 39.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.04 119.15 5.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . . . -40.09 -30.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.38 84.19 17.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.23 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.53 126.27 2.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.32 123.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.415 HG22 ' CE1' ' A' ' 61' ' ' TYR . 36.9 mm -68.25 127.78 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 4.0 mp -93.63 -27.04 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.32 -169.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 103' ' ' THR . 15.2 m-85 -141.41 170.8 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.7 tt0 -134.74 131.89 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.37 111.58 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -107.76 132.12 53.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -127.61 139.0 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -161.66 154.57 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 98' ' ' TYR . 11.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.24 133.0 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 87' ' ' TYR . 3.5 mt -117.51 172.11 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.74 165.65 47.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.437 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.96 0.15 9.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -121.47 34.25 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.27 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -102.67 -23.94 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.3 pt20 -146.17 163.3 35.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.3 t80 -149.01 126.36 11.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -83.85 127.39 33.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.86 115.24 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.1 p -116.67 154.88 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.21 50.77 5.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 2.9 mt -117.32 154.4 31.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HE2' ' OG ' ' A' ' 96' ' ' SER . 12.9 ttpt -85.09 129.52 55.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.0 Cg_endo -75.04 155.04 42.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 65.96 44.22 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -141.47 -169.09 2.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.452 ' CG1' HD23 ' A' ' 117' ' ' LEU . 66.0 t -134.98 103.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.588 ' CE1' HD21 ' A' ' 67' ' ' LEU . 18.0 m-85 -96.05 126.56 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.433 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -92.19 122.43 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.552 ' CD1' HG13 ' A' ' 118' ' ' VAL . 17.5 m-85 -101.95 113.16 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.4 ttp180 -102.68 111.79 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.3 mt -99.82 139.29 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.461 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.3 m -148.51 162.06 40.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.13 155.28 33.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.4 tt0 -121.08 126.33 49.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 p -121.96 -170.23 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -76.74 -2.21 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 10.4 mmmt -105.45 -43.6 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.1 -163.45 31.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.6 m95 -89.78 119.37 30.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.19 -152.35 7.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.73 128.9 19.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -91.61 118.91 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -97.68 126.43 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -133.38 122.3 23.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.452 HD23 ' CG1' ' A' ' 97' ' ' VAL . 1.8 mt -91.47 139.2 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 9.1 p -144.68 124.63 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.436 ' CG2' HG23 ' A' ' 97' ' ' VAL . 6.7 t -86.27 146.99 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.7 p -96.87 117.31 30.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.365 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 4.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.25 18.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.88 -170.19 46.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.57 19.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.02 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -92.69 163.38 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 42.47 6.06 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 5.8 mm -90.21 99.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.3 mm? -124.68 150.21 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.9 m-85 -114.47 90.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.505 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.99 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ARG . 26.4 tt0 -112.32 116.89 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 73.4 t -142.91 129.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' SER . 13.6 mmt-85 -128.18 -169.76 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -66.25 -60.52 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 p -123.49 40.08 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.8 p -171.79 97.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.8 m -115.1 174.72 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ttm-85 -164.44 104.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -101.37 169.36 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.505 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -137.52 132.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 30.3 p90 -124.18 -176.83 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -140.97 162.96 45.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.92 37.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.05 120.03 5.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.73 -29.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.59 85.66 17.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.02 -34.6 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.13 42.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.0 150.31 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -78.5 106.54 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.91 116.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.76 -25.87 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.36 -175.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 103' ' ' THR . 10.3 m-85 -134.46 175.15 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.6 tt0 -140.21 133.96 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.591 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -126.23 111.02 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -103.81 129.28 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -126.52 125.41 41.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -159.61 135.21 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.64 132.86 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.7 mt -113.35 171.75 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.79 166.56 41.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.429 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.96 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.7 p -119.15 33.38 5.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.02 119.23 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.32 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 47' ' ' ILE . 3.9 pt20 -150.73 159.34 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' HG23 ' A' ' 63' ' ' ILE . 42.3 t80 -144.99 148.65 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.2 m -111.18 123.29 49.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' SER . . . -101.83 131.45 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.1 p -124.04 151.83 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.52 55.8 8.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.7 mt -113.15 145.8 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.71 123.93 88.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.07 164.22 33.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 51.74 35.52 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.473 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -134.24 -172.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' HG23 ' A' ' 119' ' ' VAL . 37.8 t -125.88 126.66 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.677 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.3 m-85 -116.89 127.02 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.1 tm? -94.29 111.59 23.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' A' ' 118' ' ' VAL . 13.5 m-85 -93.76 113.04 25.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.424 ' CD ' ' CG ' ' A' ' 115' ' ' GLU . 2.9 ttp85 -102.83 111.23 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mt -98.79 137.6 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.413 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 2.7 m -148.1 159.64 43.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.56 140.68 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -103.84 125.87 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -124.04 -168.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -73.56 -9.62 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 107' ' ' ARG . 0.8 OUTLIER -97.06 -37.01 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.72 -138.69 7.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 89.8 m95 -109.37 111.94 23.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.88 -150.14 4.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 166.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.29 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.61 117.37 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.465 ' CB ' HD21 ' A' ' 99' ' ' LEU . 12.5 mt-10 -97.9 124.48 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.457 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -132.98 124.76 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.4 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.1 mt -92.34 135.73 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.1 p -138.56 125.84 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.1 t -89.04 139.09 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 41' ' ' THR . 24.0 p -92.65 122.76 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.05 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.14 -171.11 24.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.02 133.51 16.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.99 107.66 2.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -89.21 161.17 16.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.48 43.55 5.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG23 ' CB ' ' A' ' 116' ' ' ALA . 5.0 mm -91.85 104.16 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.1 mm? -128.16 155.39 44.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CE1' HG11 ' A' ' 118' ' ' VAL . 81.1 m-85 -118.83 93.15 45.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.0 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' ARG . 47.8 tt0 -117.36 111.17 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.4 118.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp180 -109.64 -163.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -67.54 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -88.14 25.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.5 p -160.65 116.65 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 3.0 m -129.91 167.16 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.8 ttm-85 -151.38 105.24 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -106.15 169.59 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.512 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.04 154.57 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 35.8 p90 -144.34 179.96 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -136.79 162.65 54.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.06 37.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.03 120.35 6.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.75 -27.48 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.3 86.71 18.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.04 -31.79 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 18.0 p30 38.19 36.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.83 130.51 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -57.28 133.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 61' ' ' TYR . 18.0 mm -80.87 130.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -98.68 -22.13 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.25 -171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.1 m-85 -140.29 167.38 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 31.7 tt0 -132.47 135.37 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -126.14 108.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 p -104.05 133.71 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -131.76 133.8 45.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LEU . 19.1 ptt85 -162.53 133.68 5.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.681 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.9 t -90.99 137.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 63' ' ' ILE . 2.5 mt -119.21 171.97 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.83 168.14 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.431 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.97 -9.1 20.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -113.01 32.38 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.28 124.18 44.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -26.77 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.0 pt20 -144.73 161.95 37.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CD2' HG23 ' A' ' 63' ' ' ILE . 28.6 t80 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.3 m -115.63 124.65 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.91 114.48 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -113.94 152.52 30.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.96 58.06 4.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.6 mt -118.73 153.51 34.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -83.48 125.04 74.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 161.7 38.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 62.62 38.31 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -145.87 -175.93 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.073 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' HG23 ' A' ' 119' ' ' VAL . 11.3 t -125.42 129.28 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.681 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.1 m-85 -114.6 128.06 56.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.481 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -90.13 110.6 21.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.576 ' CD1' HG11 ' A' ' 118' ' ' VAL . 11.5 m-85 -93.93 112.76 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 ttp-105 -104.14 112.84 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 mt -99.22 138.59 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -148.28 160.39 43.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.46 152.24 33.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.1 tt0 -114.19 123.97 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -123.87 -168.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -78.88 1.7 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 9.3 mmmt -108.49 -31.41 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.0 -135.32 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.4 m95 -114.27 112.83 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.27 -152.93 6.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -47.74 166.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.44 134.97 31.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -94.77 118.88 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.481 ' CG ' HD21 ' A' ' 99' ' ' LEU . 3.2 mt-10 -97.69 126.11 42.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -135.26 128.07 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.85 141.32 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 100' ' ' PHE . 8.8 p -146.6 121.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.0 t -83.22 147.26 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.8 p -98.6 116.66 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.1 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.89 -167.7 30.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.16 17.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.99 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -87.76 160.37 18.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.69 45.06 5.01 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 5.9 mm -91.8 115.57 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 91.0 mt -140.52 157.55 45.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE2' HG13 ' A' ' 118' ' ' VAL . 94.0 m-85 -121.17 93.72 48.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.5 tt0 -117.92 111.26 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.14 114.07 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -101.47 -161.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -76.06 -81.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.456 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.1 p -87.28 23.05 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 72.2 m -165.64 128.64 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.9 m -137.44 168.72 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 38' ' ' GLU . 14.5 ttm180 -152.45 109.11 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -109.04 169.57 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -135.1 165.45 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.589 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 29.3 p90 -159.19 178.48 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -135.23 162.89 54.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.58 40.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 124.87 8.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.79 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.77 84.98 21.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 41.99 45.24 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.55 127.67 1.47 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.35 130.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' CE1' ' A' ' 61' ' ' TYR . 13.7 mm -78.33 129.59 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 179.0 -162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE1' HG23 ' A' ' 58' ' ' ILE . 19.2 m-85 -148.96 171.28 16.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 25.3 tt0 -138.07 132.98 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.59 107.63 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.6 p -98.27 160.04 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 p-80 -156.85 131.63 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -162.08 131.15 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -85.33 131.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 3.6 mt -113.27 170.6 8.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.03 166.5 41.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.431 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.1 Cg_endo -74.99 -1.55 11.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.02 35.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.87 126.97 51.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 -27.71 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 10.4 pt20 -142.56 162.06 36.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CD2' HG23 ' A' ' 63' ' ' ILE . 43.4 t80 -142.53 150.62 40.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.6 m -107.9 124.97 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.21 118.4 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -118.41 154.23 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.71 58.35 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.5 mt -119.83 164.1 16.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 6.1 ttmm -92.39 128.05 46.27 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 18.1 Cg_endo -74.99 161.99 37.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 58.2 43.72 20.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.486 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -150.52 167.95 25.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.61 129.02 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.1 m-85 -114.73 123.87 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -86.01 109.64 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.574 ' CD1' HG13 ' A' ' 118' ' ' VAL . 10.8 m-85 -93.65 114.49 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp180 -105.85 113.47 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.7 mt -98.77 138.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.6 m -148.93 159.74 43.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -115.03 159.23 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.3 tt0 -120.34 125.51 48.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -123.86 -170.84 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -80.56 2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 11.0 mmmt -111.52 -28.7 8.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 143.7 -144.54 13.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 85.8 m95 -108.59 118.48 36.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.95 -152.61 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -51.9 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -144.19 130.75 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.19 118.68 31.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.3 mt-10 -95.94 127.21 41.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -135.55 127.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.9 136.79 34.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.577 HG13 ' CE2' ' A' ' 36' ' ' PHE . 13.1 p -142.61 123.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' SER . 2.8 t -80.57 148.81 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 p -95.03 106.83 18.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 6.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.01 -174.18 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.72 -176.38 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.66 23.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.07 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -90.04 161.87 15.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 45.36 4.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.173 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.3 mm -90.46 113.95 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 76.5 mt -136.11 153.82 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.9 m-85 -117.6 92.68 41.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 44.9 tt0 -113.15 115.9 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 118' ' ' VAL . 69.6 t -141.33 107.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.3 mtp180 -100.64 -166.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 69.5 p -95.83 30.9 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.9 p -167.79 123.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 m -131.6 168.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.4 ttm-85 -156.19 105.9 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -106.41 169.6 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -136.54 158.77 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 35.4 p90 -149.17 176.38 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -130.03 162.95 50.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.48 38.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.04 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.96 85.82 18.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 -33.21 4.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 23.3 p30 40.19 43.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.44 124.2 0.98 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 mp -53.07 121.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.99 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.88 -21.85 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.78 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -142.57 172.85 12.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 45.8 tt0 -137.24 133.17 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -123.01 113.82 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 p -109.86 121.39 45.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -118.45 131.16 56.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.26 127.76 10.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 98' ' ' TYR . 7.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -93.91 127.12 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.8 mt -107.64 170.53 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.77 166.93 41.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.429 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -75.01 -2.84 13.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -119.04 34.47 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.21 124.41 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -108.17 -18.57 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 pt20 -150.2 165.72 32.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 63' ' ' ILE . 4.8 t80 -151.04 131.8 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -92.41 134.38 35.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.12 115.37 28.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.8 p -116.8 156.72 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.01 53.27 4.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 2.3 mt -120.85 158.41 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.58 134.49 27.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.4 35.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 64.1 51.37 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 5.0 m -163.42 -174.47 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -135.72 147.72 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.532 ' CD1' HD23 ' A' ' 67' ' ' LEU . 62.1 m-85 -127.24 137.06 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 115' ' ' GLU . 1.1 tm? -91.39 109.04 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.555 ' CD1' HG11 ' A' ' 118' ' ' VAL . 23.0 m-85 -94.05 112.25 24.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.9 ttp180 -105.89 113.6 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.7 mt -99.08 139.71 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.3 m -148.28 160.15 43.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.6 156.24 26.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.9 tt0 -122.24 121.99 38.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.7 p -124.44 -167.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.67 -4.82 39.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -99.55 -40.09 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.63 -141.16 9.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 90.8 m95 -108.95 109.8 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.471 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.98 -152.43 6.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 165.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 99' ' ' LEU . 9.8 mt-10 -100.14 123.17 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.83 130.83 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.481 HD22 ' CG2' ' A' ' 97' ' ' VAL . 3.7 mt -99.29 148.46 24.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 5.0 p -149.46 129.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 25.4 t -90.35 147.21 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 p -100.33 117.28 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 5.6 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 169.25 23.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.93 -168.66 45.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.06 135.33 18.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.91 108.1 2.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -88.8 162.75 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 45.87 4.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 6.6 mm -92.12 120.82 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 96.5 mt -144.59 150.22 37.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 83.8 m-85 -114.35 88.71 15.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -40.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' HH21 ' A' ' 45' ' ' ARG . 27.6 tt0 -119.54 117.92 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 67.6 t -143.19 118.09 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.8 mmt180 -109.35 -167.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -77.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -92.8 29.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ARG . 15.6 t -170.01 146.57 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 43' ' ' SER . 2.9 m -152.38 170.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.488 HH21 ' N ' ' A' ' 38' ' ' GLU . 9.0 ttp180 -155.62 113.99 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.03 170.49 7.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.529 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -140.28 127.38 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 24.5 p90 -117.94 -175.29 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -136.63 162.39 56.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.01 37.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.72 8.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.89 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -117.28 85.49 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER 41.1 42.87 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.14 132.52 1.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -60.6 112.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -57.68 136.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -110.46 -23.19 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.1 -170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -142.38 171.46 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 38.6 tt0 -136.06 137.95 41.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.579 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -129.13 111.49 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -106.0 128.27 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -123.37 139.52 53.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -161.86 152.37 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 10.0 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -96.36 129.22 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.8 mt -110.33 172.28 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.27 167.88 31.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.433 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.5 Cg_endo -74.92 -0.0 9.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -123.99 32.52 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.79 112.95 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.16 -23.41 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 2.9 mp0 -128.05 175.2 8.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' HG21 ' A' ' 63' ' ' ILE . 36.6 t80 -161.11 147.91 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -111.42 127.49 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.59 124.54 50.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.0 p -126.49 152.4 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.76 56.48 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -121.95 165.5 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.8 ttmm -99.41 131.74 24.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 158.57 42.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 65.39 46.15 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.438 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 3.4 m -153.26 -179.1 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 119' ' ' VAL . 4.6 t -123.09 138.82 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 19.9 m-85 -126.05 131.46 52.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.3 tm? -94.85 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.571 ' CD1' HG13 ' A' ' 118' ' ' VAL . 16.6 m-85 -100.33 112.74 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.7 ttp180 -102.59 112.61 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.7 mt -97.76 137.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.4 m -147.35 160.0 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -112.71 160.6 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.1 tt0 -124.28 119.5 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -123.15 -168.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.66 -17.99 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 10.7 mmmm -86.81 -41.82 13.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.28 -141.34 9.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 91.3 m95 -105.53 111.44 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.447 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -79.53 -151.19 6.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -51.63 163.49 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -137.74 138.7 39.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.79 121.42 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 125.54 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -137.58 123.63 20.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.24 148.09 23.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 6.3 p -149.79 128.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 97' ' ' VAL . 2.7 t -86.41 152.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 p -105.37 112.94 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 11.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.24 33.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.549 1.815 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -168.4 38.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.14 22.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.99 108.49 2.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -88.85 161.32 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.04 42.8 5.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HG22 ' CB ' ' A' ' 116' ' ' ALA . 6.0 mm -88.8 97.43 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.8 mm? -121.38 151.34 40.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CE1' HG13 ' A' ' 118' ' ' VAL . 67.2 m-85 -115.36 91.96 30.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.522 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.97 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -113.88 116.53 29.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 59.7 t -140.34 108.9 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' SER . 12.3 mtp180 -99.1 -168.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -76.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 p -89.58 25.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 2.9 m -168.45 148.09 4.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 43' ' ' SER . 2.3 m -150.54 172.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.9 ttm180 -158.27 107.69 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -107.24 169.62 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.522 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.7 147.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 31.9 p90 -137.31 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -131.75 162.61 55.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.51 40.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.09 -30.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.29 84.45 17.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.92 2.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 45.85 44.67 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.61 137.69 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.59 128.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mm -72.54 126.16 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 59' ' ' LEU . 3.7 mp -93.43 -27.18 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.2 -170.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -138.93 169.57 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 22.5 tp60 -132.75 129.1 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.573 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -125.81 114.18 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 128.02 56.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 65' ' ' HIS . 1.3 p80 -118.24 123.33 45.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.63 143.63 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 98' ' ' TYR . 6.9 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 80' ' ' LEU . 1.9 t -91.01 144.14 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 63' ' ' ILE . 3.4 mt -123.11 172.21 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.25 166.85 32.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.432 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -74.99 0.25 9.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 30.47 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CZ2' ' A' ' 48' ' ' TRP . . . -106.26 105.38 15.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -14.79 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -147.24 179.68 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.477 ' CD2' HG23 ' A' ' 63' ' ' ILE . 23.6 t80 -158.49 151.66 22.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -111.47 129.22 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.77 119.26 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 p -123.54 154.85 38.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 56.83 3.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' A' ' 98' ' ' TYR . 1.9 mt -123.93 169.32 11.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -101.15 136.34 19.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' HG1' ' A' ' 120' ' ' THR . 0.9 OUTLIER 51.08 52.69 14.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 92.5 p -153.71 -171.24 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -137.12 135.7 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.593 ' CD1' HD21 ' A' ' 67' ' ' LEU . 24.5 m-85 -123.49 129.84 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 1.5 tm? -89.11 116.64 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.576 ' CD1' HG13 ' A' ' 118' ' ' VAL . 19.4 m-85 -99.42 111.88 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.484 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.7 ttp180 -102.11 109.16 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.0 mt -97.59 136.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.9 m -148.35 163.14 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -116.69 155.34 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.2 tt0 -119.62 122.58 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.7 -167.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -0.27 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.54 -46.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.69 -119.76 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.6 m95 -128.31 111.39 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.403 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -74.98 -156.23 5.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.84 173.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.51 131.52 18.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.58 119.76 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.484 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 14.8 mt-10 -100.73 122.94 44.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -135.14 122.16 21.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 97' ' ' VAL . 1.2 mt -92.8 135.77 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.585 HG13 ' CE1' ' A' ' 36' ' ' PHE . 2.9 p -133.53 122.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' SER . 13.7 t -81.46 145.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.452 ' HG1' ' N ' ' A' ' 95' ' ' GLU . 69.9 p -94.26 117.17 29.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.808 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.43 -167.12 41.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.31 21.59 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.5 Cg_endo -74.95 107.56 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -90.33 167.71 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.29 48.21 5.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.477 HG21 ' CB ' ' A' ' 116' ' ' ALA . 9.4 mm -93.53 114.24 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 89.2 mt -134.29 151.31 51.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 118' ' ' VAL . 69.3 m-85 -114.98 92.14 29.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -75.0 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.7 tt0 -113.94 115.97 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 118' ' ' VAL . 61.1 t -140.62 116.58 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' SER . 1.1 mtp-105 -110.56 -165.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -72.16 -82.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.6 p -90.28 26.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.2 m -164.08 135.88 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.58 170.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.4 ttm180 -157.94 108.23 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -107.83 169.53 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.21 142.05 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 31.5 p90 -131.25 178.89 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -133.3 161.49 63.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.42 41.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.02 121.38 6.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.45 -29.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.76 84.92 16.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.66 3.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER 40.08 41.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.75 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -62.18 108.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -53.76 131.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.43 -22.69 12.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.45 -170.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.549 ' CE1' HG23 ' A' ' 58' ' ' ILE . 30.1 m-85 -141.17 173.1 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.3 tt0 -135.69 134.05 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -128.23 121.19 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 p -117.02 133.85 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 65' ' ' HIS . 1.2 p80 -117.27 130.77 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -155.57 134.54 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD21 ' CE1' ' A' ' 98' ' ' TYR . 12.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.8 t -94.2 130.72 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.4 mt -113.13 172.61 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.79 167.03 38.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.44 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.5 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 p -121.52 34.02 5.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.19 114.47 28.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.2 mmm180 -97.87 -22.65 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.497 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.7 pt20 -144.27 163.73 32.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.45 ' CB ' HD13 ' A' ' 63' ' ' ILE . 2.9 t80 -147.13 138.69 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.8 m -93.87 129.49 40.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.15 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -119.88 164.67 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.47 51.31 12.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 1.2 mt -119.47 159.3 24.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.66 133.51 29.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.26 35.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 63.68 43.03 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 13.3 m -155.67 179.08 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.9 OUTLIER -123.14 137.24 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 92' ' ' LEU . 24.6 m-85 -122.68 122.07 37.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.11 141.02 37.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD1' HG13 ' A' ' 118' ' ' VAL . 16.9 m-85 -120.49 110.08 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.483 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 2.1 ttp180 -99.15 107.9 20.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 48' ' ' TRP . 22.8 mt -98.33 137.98 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.8 m -148.34 159.46 43.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.95 156.0 27.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 4.5 tt0 -120.56 124.04 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -123.81 -168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.01 -8.57 56.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.65 -45.57 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.53 -145.16 12.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.1 m95 -105.5 120.25 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.68 -157.58 27.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 1.6 tt0 -48.36 171.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.94 133.97 30.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.07 117.94 30.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.483 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 22.7 mt-10 -96.65 121.18 38.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -130.17 123.12 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.61 146.51 23.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 36' ' ' PHE . 3.5 p -147.66 127.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 9.3 t -87.57 144.32 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 41' ' ' THR . 11.8 p -100.82 116.3 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.72 -168.58 26.39 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.575 1.172 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.8 18.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.0 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -87.87 160.58 17.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.65 40.4 5.01 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 116' ' ' ALA . 4.7 mm -86.73 121.68 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 81.6 mt -147.43 149.65 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.3 m-85 -113.84 91.41 21.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.98 -49.7 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 35.5 tt0 -113.35 117.65 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG21 ' CG2' ' A' ' 118' ' ' VAL . 53.7 t -140.94 125.91 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.4 mtp180 -120.47 -168.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -81.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.1 p -89.89 28.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.0 t -167.12 144.25 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 43' ' ' SER . 2.0 m -151.97 171.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -157.09 116.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 102' ' ' ILE . 0.9 OUTLIER -114.69 169.64 8.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -138.8 136.78 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 25.0 p90 -128.32 -172.42 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -142.88 162.18 45.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.45 41.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.98 9.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 -29.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.26 85.71 16.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 39.99 42.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.55 128.33 1.03 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.77 111.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.763 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 61' ' ' TYR . 47.5 mm -57.35 134.01 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.28 -23.42 12.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.39 -170.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 58' ' ' ILE . 32.2 m-85 -143.56 173.97 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 36.9 tt0 -138.11 133.85 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.579 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.75 108.18 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' PHE . 17.0 p -99.19 163.88 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -157.57 134.37 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -161.2 132.38 5.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.77 130.05 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 3.0 mt -109.68 171.82 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 168.75 24.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.425 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -75.03 -6.8 18.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.11 36.24 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.8 127.03 48.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -24.91 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 4.7 pt20 -145.82 164.58 31.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 63' ' ' ILE . 33.8 t80 -146.0 125.1 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.2 m -90.27 128.45 36.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.36 140.52 37.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -140.98 141.87 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 81.18 55.17 3.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.83 173.81 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.3 ttmt -97.86 130.02 29.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.97 175.19 11.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 44.67 45.5 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.493 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -153.7 165.62 35.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.503 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.7 OUTLIER -112.65 138.27 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.6 m-85 -121.43 120.14 34.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -79.5 107.71 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 118' ' ' VAL . 15.7 m-85 -92.11 112.31 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.462 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 4.3 ttt-85 -104.06 113.05 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 48' ' ' TRP . 18.8 mt -97.89 136.73 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.0 m -147.8 157.07 43.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.21 156.37 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 tt0 -119.25 123.71 44.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.6 p -123.91 -168.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -1.83 36.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -102.63 -36.04 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.0 -139.68 8.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.7 m95 -112.15 110.84 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.05 -152.73 5.94 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 164.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' A' ' 101' ' ' ARG . . . -139.34 137.48 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.1 121.4 32.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 4.7 mt-10 -100.47 123.56 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -136.98 125.47 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 1.6 mt -93.57 144.75 25.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.0 p -145.89 125.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.503 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 t -84.55 142.8 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 p -97.77 114.54 26.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.05 23.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.39 48.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.0 138.02 22.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.0 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -92.81 160.83 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.95 42.28 6.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 HG23 ' CB ' ' A' ' 116' ' ' ALA . 5.8 mm -87.74 101.77 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -127.92 160.97 30.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 78.3 m-85 -123.26 93.36 48.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.9 tt0 -119.53 112.03 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.8 118.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . 22.4 mtp180 -107.48 -163.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 18.9 p -87.76 25.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.5 p -163.3 117.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 3.0 m -128.43 165.74 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.1 ttm180 -149.87 109.31 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -112.29 168.86 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.492 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -132.84 171.54 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 36.3 p90 -161.95 176.88 10.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -133.15 161.65 62.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.61 41.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.58 85.44 16.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -34.34 3.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER 40.04 45.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.64 132.46 1.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -63.23 107.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -51.95 134.47 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.9 mt -109.79 -24.14 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.39 -170.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 58' ' ' ILE . 31.6 m-85 -143.01 174.3 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 18.2 tt0 -140.47 139.68 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -131.18 114.9 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -108.15 128.4 54.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -125.04 134.3 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.77 144.13 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' CD2' ' CZ ' ' A' ' 98' ' ' TYR . 10.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -96.69 130.36 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 3.1 mt -110.08 172.76 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.71 168.17 27.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.412 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.1 Cg_endo -75.07 -4.59 15.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 m -116.95 34.12 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.72 126.98 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -25.76 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.9 pt20 -146.06 157.37 43.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.574 ' CD2' HG21 ' A' ' 63' ' ' ILE . 22.1 t80 -139.77 125.88 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.9 m -89.03 129.28 35.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 90' ' ' THR . . . -107.37 154.0 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 89' ' ' ALA . 33.1 p -155.71 152.89 29.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.16 64.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.664 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -70.02 159.48 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 18.9 ttmt -92.71 132.79 30.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.94 154.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 67.12 43.86 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.446 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 5.6 m -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.421 ' CG2' HG22 ' A' ' 119' ' ' VAL . 2.6 t -127.29 134.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.639 ' CZ ' ' CD2' ' A' ' 67' ' ' LEU . 43.7 m-85 -122.73 139.3 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.484 HD22 ' CG ' ' A' ' 115' ' ' GLU . 1.1 tm? -95.62 117.6 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CD1' HG13 ' A' ' 118' ' ' VAL . 18.4 m-85 -100.03 112.24 24.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.3 ttp180 -104.29 112.25 25.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.8 mt -98.38 137.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 m -147.52 157.45 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.42 162.1 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 52.3 tt0 -124.04 118.69 27.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -123.67 -169.02 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.29 -17.27 59.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -86.19 -35.11 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.2 -137.19 7.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 104' ' ' ALA . 94.2 m95 -110.99 111.15 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -75.87 -159.51 8.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -47.38 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -141.08 133.2 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.82 122.39 33.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.484 ' CG ' HD22 ' A' ' 99' ' ' LEU . 7.7 mt-10 -101.06 124.14 46.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -136.18 133.43 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mt -98.27 148.14 23.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.2 p -152.07 121.23 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.421 HG22 ' CG2' ' A' ' 97' ' ' VAL . 3.1 t -80.32 153.25 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.4 p -104.17 114.69 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.81 -166.41 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.01 133.66 16.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.96 108.66 2.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -92.17 163.95 13.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.08 50.87 3.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 6.5 mm -96.99 104.27 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 81.0 mt -122.76 149.8 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 70.8 m-85 -113.65 92.71 25.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.97 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -119.69 117.75 29.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 50.1 t -139.53 117.23 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.6 mtp180 -109.03 -164.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' LEU . 68.8 p -82.03 8.92 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 29.5 m -144.4 142.73 30.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 92' ' ' LEU . 1.3 m -150.31 170.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -157.33 117.82 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.84 169.39 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -138.11 132.22 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 29.3 p90 -120.24 -178.72 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -136.09 162.34 57.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.16 40.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.41 7.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.2 -27.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.69 84.76 15.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.8 m-80 40.03 42.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.39 127.14 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.35 134.83 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 0.8 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.501 HG22 ' CE1' ' A' ' 61' ' ' TYR . 8.1 mm -83.76 126.47 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -95.36 -19.91 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HA ' ' N ' ' A' ' 82' ' ' PRO . . . 171.61 -172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 104' ' ' ALA . 24.1 m-85 -139.05 174.21 10.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.8 tt0 -138.63 132.32 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.578 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.01 106.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 101' ' ' ARG . 7.1 p -101.08 124.11 46.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -114.59 140.37 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -161.67 154.57 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.595 HD21 ' CD1' ' A' ' 98' ' ' TYR . 8.6 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.05 130.86 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 63' ' ' ILE . 3.1 mt -110.35 172.48 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 166.65 39.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.437 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.1 Cg_endo -75.05 -2.93 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -118.86 33.08 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.62 121.87 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -108.4 -5.97 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.475 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 12.6 pt20 -154.52 170.39 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CD2' HG21 ' A' ' 63' ' ' ILE . 31.1 t80 -156.29 146.78 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.2 m -103.45 130.03 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.51 124.57 52.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 p -133.14 152.65 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.99 44.19 6.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -110.73 176.11 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 96' ' ' SER . 0.0 OUTLIER -109.84 134.79 20.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.96 149.84 37.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' PRO . 2.2 mt-10 69.57 55.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.477 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 21.8 p -152.15 -170.55 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 119' ' ' VAL . 84.4 t -136.55 102.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.595 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.1 m-85 -96.61 140.02 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -107.99 131.58 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.478 ' CD2' HG12 ' A' ' 118' ' ' VAL . 21.8 m-85 -110.5 113.49 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -97.69 109.71 22.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.7 mt -97.02 135.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.1 m -148.29 152.0 36.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -106.84 154.78 20.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.7 tt0 -114.8 124.31 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -122.65 -178.1 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.31 -6.44 43.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -99.01 -40.31 8.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 153.35 -147.23 16.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 90.0 m95 -105.41 119.69 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.54 -156.66 22.96 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.419 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -47.76 167.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.46 125.95 20.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.27 120.66 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 26.7 mt-10 -97.12 128.65 44.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -132.3 121.36 23.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.82 142.65 27.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 9.1 p -148.35 124.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 96' ' ' SER . 5.0 t -80.78 151.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.2 p -96.39 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.91 168.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.28 170.39 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.94 -178.97 20.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -175.97 169.98 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.21 157.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.65 -166.15 15.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.66 153.56 47.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.33 170.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.06 163.42 14.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 177.23 166.03 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.32 131.56 1.4 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.26 91.11 0.29 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.031 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.9 15.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -161.07 -179.42 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.29 145.32 20.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.85 30.64 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.563 1.823 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.18 21.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.84 -179.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.37 56.4 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.74 85.33 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 1.4 ptp180 -88.03 118.2 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.66 -52.05 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 172.49 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -100.37 159.97 14.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -178.04 147.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.3 m -56.55 160.52 5.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.25 -166.8 31.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.1 17.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -88.58 160.66 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.62 44.79 4.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 4.5 mm -92.69 103.98 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.2 mm? -128.38 150.96 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 118' ' ' VAL . 67.7 m-85 -114.04 91.42 22.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.9 tt0 -113.11 114.54 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 118' ' ' VAL . 65.4 t -141.4 114.73 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 43' ' ' SER . 8.8 mtp180 -108.34 -163.76 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -77.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -101.92 34.06 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 2.9 p -168.95 113.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.0 169.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.1 ttm-85 -156.94 106.14 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 1.2 pt? -105.25 170.44 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.88 140.2 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.584 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 28.1 p90 -131.93 179.09 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -135.92 160.29 67.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 153.3 41.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.99 119.36 5.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.2 -28.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.43 85.44 16.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.75 2.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER 42.29 44.46 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.7 134.26 2.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.2 128.32 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG2' ' CE1' ' A' ' 61' ' ' TYR . 26.8 mm -74.93 129.53 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' HD11 ' A' ' 59' ' ' LEU . 2.6 mp -96.95 -25.15 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' HA ' ' N ' ' A' ' 82' ' ' PRO . . . 174.65 -174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.435 ' CE1' ' CG2' ' A' ' 58' ' ' ILE . 27.0 m-85 -137.15 174.14 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.9 tt0 -141.32 134.41 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.584 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.91 104.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 p -90.65 123.19 34.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -118.69 127.79 53.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 5.0 ptt180 -155.1 160.87 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 98' ' ' TYR . 5.5 mt -83.58 120.51 26.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -55.2 -32.64 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 70' ' ' THR . 49.6 p -134.68 102.16 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 7.4 t -176.46 -163.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -130.12 156.29 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.445 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 71' ' ' THR . . . 162.2 -168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -100.47 -52.28 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 p -149.13 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -117.07 129.03 55.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 m -75.15 95.28 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.7 146.18 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -119.22 136.74 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.81 128.99 46.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 63' ' ' ILE . 2.2 mt -107.45 172.66 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.58 168.62 26.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.96 -4.25 15.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -118.96 33.41 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.44 121.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.03 -22.44 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.523 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -126.52 172.09 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' HG23 ' A' ' 63' ' ' ILE . 47.9 t80 -160.42 159.58 31.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.9 m -121.46 130.61 53.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.9 114.95 28.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -116.2 152.07 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 55.18 3.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 2.7 mt -121.46 141.89 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.66 129.32 83.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.2 39.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.76 48.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.1 m -157.4 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 119' ' ' VAL . 11.6 t -127.89 139.34 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.567 ' CD1' HD21 ' A' ' 67' ' ' LEU . 20.5 m-85 -124.44 136.63 54.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 100' ' ' PHE . 1.6 tm? -97.4 119.59 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CD1' HG13 ' A' ' 118' ' ' VAL . 18.0 m-85 -104.14 112.18 25.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp85 -104.18 112.57 25.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 48' ' ' TRP . 18.8 mt -97.75 136.06 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.8 m -146.56 161.44 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.67 157.26 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 10.2 tt0 -119.95 125.54 48.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -123.6 -168.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -13.03 60.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 2.8 mmmt -95.74 -34.9 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.63 -144.11 12.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 73.9 m95 -105.36 122.54 46.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.3 -153.75 25.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.424 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -48.9 161.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.84 135.03 39.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.8 mt-10 -99.59 125.5 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.471 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -136.03 127.24 28.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.59 150.38 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.581 HG13 ' CD1' ' A' ' 100' ' ' PHE . 5.3 p -152.62 130.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 97' ' ' VAL . 3.3 t -89.88 154.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 p -107.69 113.82 27.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 t -177.12 170.52 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -92.13 -28.66 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.48 116.61 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 134.36 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.96 134.72 25.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.46 103.6 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.73 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.62 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.77 151.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.19 163.31 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.46 169.85 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.934 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.27 128.19 1.33 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -170.83 134.74 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -172.09 145.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.57 -116.23 3.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.52 146.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mt -65.81 103.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.68 110.08 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.7 140.26 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.76 108.58 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -156.71 77.84 4.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.36 87.84 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -149.57 159.72 35.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 163.6 35.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.24 143.61 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.25 67.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -104.58 157.83 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 50.31 98.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -75.51 -62.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -48.11 147.33 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 161.36 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.27 154.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 6.5 m -40.58 158.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.75 19.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -165.89 41.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.34 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.95 108.26 2.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -91.63 162.12 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 38.45 5.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 4.3 mm -87.03 111.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 68.3 mt -134.53 149.87 50.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 118' ' ' VAL . 77.4 m-85 -113.65 91.91 22.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -115.92 116.5 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 54.6 t -140.48 124.57 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 mtp180 -119.12 -164.51 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 67.2 p -88.22 20.2 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -155.44 137.97 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.62 174.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.6 ttm-85 -161.37 108.74 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.92 169.88 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.516 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -138.54 140.44 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.598 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 27.5 p90 -131.56 -179.59 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -136.76 162.18 57.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 152.76 41.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.03 7.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.57 84.68 15.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.76 3.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER 41.25 40.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.37 130.07 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -61.17 111.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -58.34 130.39 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.47 -23.52 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.62 -170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.544 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -143.19 172.89 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.0 tt0 -138.4 139.42 38.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.598 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -132.05 116.99 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.1 p -113.23 129.92 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -125.31 129.99 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.606 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 10.6 ptt85 -162.01 138.43 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -38.58 130.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 58.2 t30 -64.89 -10.38 28.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.08 108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.454 ' CG2' ' N ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -175.71 -171.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.454 ' N ' ' CG2' ' A' ' 70' ' ' THR . 74.3 p -115.95 106.7 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.8 -168.65 2.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.81 -57.2 2.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -156.02 168.92 25.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -96.41 151.64 19.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.6 m -89.35 101.89 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.475 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 70.5 t -85.73 133.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.8 tt0 -129.09 135.44 48.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -97.22 131.74 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.3 mt -111.46 172.26 6.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.54 168.27 28.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -75.06 -5.93 17.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.85 32.57 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.15 117.0 33.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.35 -22.44 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -142.94 167.31 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 63' ' ' ILE . 26.1 t80 -148.9 149.85 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 m -107.18 122.91 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.07 114.72 29.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -116.31 158.59 23.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 63.76 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.0 OUTLIER -125.01 161.47 26.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.6 ttmt -90.13 125.95 58.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -75.05 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 59.68 45.04 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.475 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.27 -177.19 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 119' ' ' VAL . 23.6 t -122.87 127.77 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.686 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.7 m-85 -116.35 131.14 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -96.58 122.21 39.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 118' ' ' VAL . 13.2 m-85 -102.35 112.85 25.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.2 ttp180 -101.4 109.01 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 48' ' ' TRP . 23.8 mt -97.15 137.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.5 m -148.33 155.8 41.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.43 156.65 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 2.0 tt0 -117.21 126.11 52.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 p -123.96 -168.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.5 -14.08 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 13.3 mmmm -92.92 -37.03 12.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.54 -137.3 6.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 83.5 m95 -110.66 115.81 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.26 -144.33 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 169.23 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.96 133.13 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.31 121.75 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.431 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 51.9 mt-10 -97.47 127.35 43.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -133.66 120.0 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 1.6 mt -88.65 142.11 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 100' ' ' PHE . 7.6 p -146.46 125.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.4 t -84.91 145.77 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 p -98.23 115.37 28.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 t -177.0 170.91 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.8 -30.17 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 164.95 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 57.13 108.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -155.86 114.13 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.49 164.83 12.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.8 m 51.58 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.2 p -103.07 167.96 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p 179.09 167.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -175.21 162.47 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.15 -179.85 30.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -161.86 166.58 26.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -162.23 170.61 18.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.9 -179.31 23.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -173.45 131.33 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.1 mt -116.54 152.45 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.33 72.7 0.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.98 149.18 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.9 118.38 3.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.8 p -159.46 91.61 1.87 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.91 9.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.19 154.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -174.18 145.29 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.618 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.98 28.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.777 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.34 41.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 80.9 mt -95.86 134.04 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.84 110.28 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.89 73.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 42.24 84.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -82.18 -53.73 5.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 151.25 24.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -109.87 139.53 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 152.76 17.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.9 m -43.4 159.49 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.98 34.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.61 -173.43 42.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.98 24.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.93 110.86 3.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -92.76 161.79 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 49.88 3.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mm -94.51 120.13 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 62.7 mt -142.6 151.72 41.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 76.6 m-85 -114.91 91.45 26.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.01 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ARG . 21.8 tt0 -113.82 117.89 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 69.1 t -140.71 119.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.1 mmt180 -106.7 -165.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -78.54 -74.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -90.21 29.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 t -175.67 153.89 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.946 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' CG1' ' C ' ' A' ' 43' ' ' SER . 3.2 m -152.2 175.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.7 ttm-85 -155.74 104.03 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -104.81 170.45 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -138.24 150.36 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 33.3 p90 -140.14 -176.09 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.51 161.64 57.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.56 39.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 124.12 8.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.83 -28.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.6 85.7 17.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.8 3.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.49 44.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.58 134.95 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.92 111.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.558 HG23 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.92 136.83 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.4 mt -110.58 -23.9 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.51 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE1' HG23 ' A' ' 58' ' ' ILE . 26.6 m-85 -141.88 168.99 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 57.8 tt0 -131.87 132.52 43.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.571 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -123.89 105.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.2 p -99.37 121.17 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -116.6 139.17 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 28.5 ptt180 -160.31 153.43 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 98' ' ' TYR . 5.5 mt -77.91 109.51 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -39.73 -36.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.2 p -136.98 110.74 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 8.9 t -175.85 -164.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 70' ' ' THR . 76.2 p -152.53 97.74 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.34 -172.95 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -69.43 -48.42 61.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -179.95 177.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -87.76 132.56 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -91.98 99.91 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.72 146.6 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -90.09 130.59 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.5 mt -109.77 171.35 7.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.16 168.7 25.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.432 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -75.04 -7.29 18.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -115.44 34.41 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.77 120.12 39.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -13.56 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.508 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.3 pt20 -154.15 165.12 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 63' ' ' ILE . 62.6 t80 -143.8 152.81 41.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.8 m -115.1 129.0 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.27 140.1 38.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -144.34 136.2 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.92 49.14 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mt -114.87 166.17 12.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 5.3 ttmm -92.84 127.57 47.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.95 156.75 43.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.07 56.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.426 ' CB ' HD23 ' A' ' 67' ' ' LEU . 69.7 m -164.33 -175.34 3.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 8.3 t -123.36 138.78 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.565 ' CD1' HD22 ' A' ' 67' ' ' LEU . 21.9 m-85 -126.53 133.71 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' N ' ' A' ' 100' ' ' PHE . 1.5 tm? -95.46 121.12 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.634 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 30.7 m-85 -107.37 112.72 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.2 ttp85 -103.71 114.69 29.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.79 139.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.6 m -147.9 160.25 42.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.558 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -112.3 160.35 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -124.26 120.45 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.46 -168.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 3.9 ptm180 -78.21 2.6 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' CB ' HG13 ' A' ' 27' ' ' VAL . 2.3 mppt? -102.97 -46.29 4.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.7 -121.4 1.05 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.8 m95 -128.82 109.27 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -73.73 -163.77 9.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.23 164.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.54 137.74 42.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.421 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.7 120.78 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 9.6 mt-10 -97.1 124.32 41.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -136.04 123.51 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.4 154.34 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.634 ' CG1' ' CE1' ' A' ' 100' ' ' PHE . 4.7 p -156.53 125.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 97' ' ' VAL . 3.0 t -81.98 147.7 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.4 p -101.49 112.65 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.4 t -175.81 167.14 3.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.3 -44.19 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -58.56 149.93 24.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.24 137.61 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.25 148.8 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.61 72.6 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.19 5.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.0 t -104.46 159.29 15.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.56 105.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.058 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -176.8 94.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.96 154.18 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.97 103.05 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -167.16 135.12 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.92 92.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.91 -167.99 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -107.87 141.7 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -86.95 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.19 174.11 21.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.19 150.34 39.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.07 -131.43 4.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.57 95.85 48.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.048 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 p -129.35 143.44 50.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -78.15 129.4 75.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.74 28.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.81 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -73.6 139.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.84 110.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -148.38 161.94 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -129.95 159.28 37.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -86.7 -33.79 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.464 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 135.26 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' ASP . 38.6 m-20 -89.75 148.88 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 3.0 p30 162.36 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 5.0 m -40.3 159.62 0.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.5 11.15 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.1 -167.85 40.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.02 136.33 20.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.97 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -89.76 163.15 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.63 45.17 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG22 ' CB ' ' A' ' 116' ' ' ALA . 6.8 mm -92.32 117.11 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 94.8 mt -142.27 155.15 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.1 m-85 -118.1 93.5 44.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ARG . 48.1 tt0 -119.83 109.59 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -138.74 113.69 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp85 -102.99 -162.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -86.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.2 p -87.45 24.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.1 p -162.42 114.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.5 m -125.99 163.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.2 ttm-85 -149.67 113.55 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -114.04 169.74 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -136.08 160.04 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 33.6 p90 -149.62 178.72 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -134.35 162.34 58.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 150.81 38.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -74.99 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.47 -28.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.04 85.48 18.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 43.01 46.17 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.53 129.24 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.19 113.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.572 HG23 ' CE1' ' A' ' 61' ' ' TYR . 45.0 mm -58.7 134.0 23.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.5 mt -108.03 -23.14 12.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' HA ' ' N ' ' A' ' 82' ' ' PRO . . . 174.65 -171.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 58' ' ' ILE . 25.5 m-85 -142.35 174.1 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' CD ' ' CG1' ' A' ' 77' ' ' VAL . 27.6 tt0 -138.45 133.76 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.16 106.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -102.17 120.84 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -123.23 136.57 54.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 11.9 ptt180 -161.97 144.21 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' CE2' ' A' ' 98' ' ' TYR . 10.8 mt -59.23 113.99 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 50.9 t-20 -39.25 -30.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' C ' ' A' ' 67' ' ' LEU . 21.3 p -134.33 108.68 8.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.54 -171.67 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.0 p -147.74 100.5 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.76 -174.75 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -77.61 -45.16 25.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -166.29 169.29 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -86.22 155.8 20.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 m -81.71 96.7 7.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.501 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 53.2 t -86.48 132.82 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -127.65 135.73 50.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -96.59 127.96 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt -105.91 171.05 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.01 168.62 26.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.95 -9.25 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 p -112.55 33.95 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -112.38 -23.47 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 5.6 pt20 -149.72 168.81 22.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.546 ' CD1' HG22 ' A' ' 63' ' ' ILE . 23.9 t80 -151.17 137.14 18.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.6 m -101.93 125.36 48.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' SER . . . -101.09 123.77 45.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.3 p -122.79 156.52 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.52 63.08 2.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -128.11 171.41 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -102.77 130.17 24.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.7 39.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.51 43.31 3.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 20.0 m -149.65 -177.2 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 119' ' ' VAL . 9.8 t -126.26 138.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.589 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 35.8 m-85 -126.48 128.42 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -92.2 116.3 28.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 118' ' ' VAL . 25.8 m-85 -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.479 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 6.9 ttt180 -103.55 112.08 24.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.4 mt -97.98 138.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.7 m -148.55 157.7 43.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -112.25 158.3 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.3 tt0 -122.42 122.93 40.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 p -123.61 -167.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.76 -17.65 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 12.7 mmmm -87.19 -43.21 12.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 152.65 -135.14 4.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 88.0 m95 -112.03 117.05 31.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.38 -152.0 7.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -54.85 163.68 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.95 135.65 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.9 122.14 37.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 24.7 mt-10 -99.63 124.33 44.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -134.44 122.11 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.7 mt -91.23 144.87 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.3 p -148.74 126.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 97' ' ' VAL . 3.4 t -85.86 149.91 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 p -99.47 112.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t -177.16 171.32 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.54 -20.69 18.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -82.8 124.49 30.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -140.61 137.87 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.4 m -115.74 -49.75 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 110.48 114.77 3.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.4 m -98.69 -62.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 t -139.97 151.89 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.043 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 p -112.85 107.1 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -76.97 109.99 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.951 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.13 -109.4 3.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 m 40.14 88.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -58.89 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.48 -128.86 47.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.09 93.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm -103.27 140.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.03 170.29 53.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -155.21 137.85 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.13 147.07 16.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.4 p -121.7 128.51 25.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 57.04 4.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 p -176.97 150.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -100.26 140.67 21.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.82 15.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ILE . 18.1 Cg_endo -75.04 166.31 29.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 20' ' ' LEU . 34.3 mt 61.5 144.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' N ' HG23 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -147.22 75.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.92 161.61 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.61 76.51 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -68.57 -48.96 62.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.41 151.79 37.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.61 124.26 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.15 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 10.9 m -41.99 159.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.68 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.74 -171.47 34.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' CB ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.36 21.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.05 110.74 3.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -90.67 160.97 15.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 50.83 3.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 116' ' ' ALA . 7.5 mm -95.25 123.75 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 96.6 mt -147.61 151.33 36.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.593 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 79.3 m-85 -114.77 91.42 25.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ARG . 23.9 tt0 -113.6 117.64 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 63.4 t -141.27 123.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 mmt85 -114.4 -169.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.7 p -89.04 32.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 69.7 p -174.78 151.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 43' ' ' SER . 5.2 m -153.68 178.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.6 ttm-85 -159.7 103.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -104.44 170.42 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.515 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.74 151.87 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.589 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 25.6 p90 -143.51 -174.4 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -140.68 161.55 53.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.62 38.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.97 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.99 -28.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.65 85.71 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 45.74 44.14 10.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.28 127.97 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.88 111.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 HG22 ' CE1' ' A' ' 61' ' ' TYR . 46.2 mm -57.82 135.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.15 -24.55 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 177.17 -165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' A' ' 58' ' ' ILE . 16.4 m-85 -147.81 174.3 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.2 tt0 -139.56 132.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.3 102.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.475 HG23 ' CG1' ' A' ' 77' ' ' VAL . 33.7 p -88.77 121.11 30.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 76' ' ' THR . 3.4 p80 -113.44 132.27 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 98' ' ' TYR . 8.4 ptm180 -162.09 -174.79 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 98' ' ' TYR . 10.1 mt -107.11 147.71 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' C ' ' CG2' ' A' ' 69' ' ' THR . 9.9 t30 -88.56 23.8 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 7.5 p -148.74 -140.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p 48.58 -154.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.1 160.29 14.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 73' ' ' ASN . . . -91.98 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.552 ' O ' ' OG1' ' A' ' 74' ' ' THR . 2.6 m120 174.0 68.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.552 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 43.3 p 51.46 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -129.9 147.08 51.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 65' ' ' HIS . 77.4 m -74.22 97.5 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 64' ' ' THR . 0.9 OUTLIER -95.52 158.99 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.81 136.12 36.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.87 133.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 63' ' ' ILE . 2.9 mt -114.24 167.26 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.94 167.72 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.437 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -75.05 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -118.56 34.83 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.88 123.33 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -106.85 -20.4 13.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.8 pt20 -149.61 162.89 39.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' HG21 ' A' ' 63' ' ' ILE . 69.3 t80 -142.87 149.57 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 m -110.61 127.84 55.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.15 140.65 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 p -141.34 138.0 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.56 54.58 2.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 98' ' ' TYR . 5.1 mt -115.91 168.12 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 ttmm -100.62 128.08 30.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.759 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.02 43.23 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -152.63 169.88 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.2 t -111.86 129.87 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.591 ' CD1' HD22 ' A' ' 67' ' ' LEU . 11.5 m-85 -114.02 136.06 53.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 100' ' ' PHE . 1.7 tm? -98.4 116.73 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.56 ' CD1' HG11 ' A' ' 118' ' ' VAL . 17.2 m-85 -102.24 112.85 25.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 7.4 ttt-85 -105.71 115.65 30.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.7 mt -99.95 139.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.5 m -148.24 159.42 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.502 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -113.18 160.19 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 37.1 tt0 -123.61 121.91 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -123.68 -167.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -74.87 -12.36 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 1.7 mmmm -91.51 -44.04 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.1 -127.99 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 87.8 m95 -120.42 114.1 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.41 -156.5 9.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -51.21 163.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -136.07 140.37 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.2 121.25 36.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 121.64 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -132.56 127.49 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.46 148.91 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.593 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 p -153.07 126.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.58 151.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -104.72 111.47 24.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 t -176.15 169.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -88.85 -44.48 10.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.9 164.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -146.87 143.52 28.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 p -164.67 168.1 18.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -109.86 103.23 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 155.51 42.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.9 p -145.18 161.78 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.68 96.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.06 171.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -162.78 169.6 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.31 -171.3 34.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 p -171.33 156.02 4.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.4 164.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.91 116.43 0.51 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 137.94 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 pt -121.08 174.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.91 131.95 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p30 168.84 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.3 91.58 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.5 p -179.11 79.91 0.21 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t 39.32 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.043 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -81.11 146.09 57.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.619 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.09 41.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.95 155.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -120.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.4 126.36 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.64 80.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -75.35 -72.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -136.5 157.15 47.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -104.5 106.95 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -169.43 154.59 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -66.07 160.2 65.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.41 7.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.17 -169.21 34.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.16 21.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.02 110.79 3.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -91.36 161.39 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 42.49 6.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG22 ' CB ' ' A' ' 116' ' ' ALA . 5.3 mm -88.2 103.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.7 mm? -129.41 158.35 39.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 118' ' ' VAL . 81.6 m-85 -120.92 93.54 48.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.98 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.8 tt0 -118.9 111.95 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -139.77 119.36 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.9 mtp180 -107.15 -161.5 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 45.6 p -77.33 5.37 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -140.27 129.45 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.049 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.5 m -139.76 163.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.3 ttm180 -147.43 115.08 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -116.24 169.7 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -133.94 169.06 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 34.2 p90 -160.82 -176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.73 162.74 44.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.14 42.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.568 1.825 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.01 -29.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 85.0 16.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -36.86 2.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.0 42.34 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.99 129.04 1.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -58.17 129.28 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 HG23 ' CE1' ' A' ' 61' ' ' TYR . 23.3 mm -76.13 134.59 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.5 -23.72 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.14 -171.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.504 ' CE1' HG23 ' A' ' 58' ' ' ILE . 30.7 m-85 -137.87 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.4 tt0 -139.07 131.92 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.561 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.52 104.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -93.18 125.87 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.65 124.36 49.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 28.2 ptt180 -151.15 153.12 34.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 98' ' ' TYR . 7.7 mt -78.13 125.91 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.447 ' ND2' ' CD2' ' A' ' 117' ' ' LEU . 3.5 t30 -69.28 -10.49 58.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.427 ' O ' ' HB ' ' A' ' 70' ' ' THR . 14.9 p -147.58 85.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 179.14 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 p 45.97 92.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.75 -179.77 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -41.75 -52.96 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -166.39 168.69 14.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -97.43 113.11 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.7 m -71.2 98.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.48 151.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -124.61 135.91 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -92.62 129.05 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.6 mt -107.84 172.2 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.1 167.48 35.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.98 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.5 p -118.71 34.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.68 132.8 44.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -24.37 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 7.0 pt20 -145.98 166.23 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' HG23 ' A' ' 63' ' ' ILE . 17.5 t80 -147.16 137.7 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.5 m -100.04 131.01 46.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.22 144.95 31.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 p -148.08 146.22 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.56 50.23 4.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.2 mt -118.35 161.97 19.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -92.62 129.28 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.08 37.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 64.06 45.71 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.5 m -152.77 -175.36 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.446 ' CG2' HG21 ' A' ' 119' ' ' VAL . 13.5 t -128.07 132.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.578 ' CD1' HD21 ' A' ' 67' ' ' LEU . 25.6 m-85 -119.82 133.76 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.5 tm? -94.59 117.65 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CD1' HG13 ' A' ' 118' ' ' VAL . 19.5 m-85 -100.16 112.56 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.8 ttp180 -103.0 112.3 25.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -98.41 136.73 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.8 m -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.28 157.12 23.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.8 tt0 -118.71 125.41 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.88 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -78.56 -4.7 50.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 0.1 OUTLIER -103.5 -30.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.39 -143.06 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 79.6 m95 -108.86 120.42 42.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.67 -153.04 17.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 165.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.89 138.06 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.15 121.9 37.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 10.3 mt-10 -99.64 123.58 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -133.11 127.06 33.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.447 ' CD2' ' ND2' ' A' ' 68' ' ' ASN . 1.8 mt -94.52 140.58 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 36' ' ' PHE . 8.1 p -145.27 123.44 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 97' ' ' VAL . 3.2 t -80.69 154.65 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 p -103.31 111.25 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t -176.99 172.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.36 -24.1 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -80.25 160.6 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.36 154.4 31.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.52 169.99 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.52 119.47 0.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.25 6.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -161.47 146.31 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.3 p -166.75 137.63 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -147.56 -59.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.57 146.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.52 -139.58 9.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m 56.96 76.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -162.36 145.23 11.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 119.82 3.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.48 140.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 pt -110.37 -176.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.43 163.8 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -161.78 151.85 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.8 138.87 5.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.44 96.27 0.3 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.81 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.2 p -177.16 138.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 153.44 18.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.25 22.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.792 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.84 134.19 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tt -173.73 87.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.03 112.38 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -166.52 86.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.4 p -52.47 -56.78 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.85 144.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.64 90.55 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER 178.34 152.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 3.4 m -69.08 160.23 79.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.73 8.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.31 -168.1 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.04 133.07 16.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.96 109.62 2.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -89.43 164.3 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.46 49.81 4.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 4.4 mm -97.08 109.36 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 70.5 mt -129.92 149.23 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.573 ' CE1' HG13 ' A' ' 118' ' ' VAL . 64.4 m-85 -113.93 92.01 24.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.95 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.3 tt0 -113.91 114.74 26.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 118' ' ' VAL . 63.7 t -140.88 110.53 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 mtp85 -104.62 -164.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -90.57 24.82 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.1 p -159.07 130.96 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 92' ' ' LEU . 2.5 m -141.12 174.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.2 ttm-85 -162.05 105.58 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 1.1 pt? -104.48 169.54 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -138.22 130.89 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.589 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 29.3 p90 -120.7 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -135.3 162.41 57.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.92 37.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.35 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.77 -28.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.34 84.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 39.47 42.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.36 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.8 mm -49.83 131.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.531 HG22 ' CE1' ' A' ' 61' ' ' TYR . 10.8 mm -84.02 125.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -97.53 -20.46 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.22 -169.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CE1' HG22 ' A' ' 58' ' ' ILE . 28.8 m-85 -142.4 173.32 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 32.8 tt0 -138.57 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -128.9 119.12 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -115.23 129.96 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -128.34 133.13 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 33.8 ptt180 -162.08 135.7 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.669 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -37.8 126.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' CG ' ' CD2' ' A' ' 117' ' ' LEU . 64.7 t30 -64.49 -10.84 28.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -148.48 84.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 177.44 -43.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p 42.89 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.89 175.08 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -43.2 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -152.28 175.73 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 74' ' ' THR . . . -116.81 134.64 54.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -64.0 103.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.453 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 82.6 t -99.66 135.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -132.13 135.96 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.2 t -97.32 126.24 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.4 mt -106.8 171.08 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.39 167.35 37.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.428 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.96 -4.11 14.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 35.18 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.66 121.75 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -15.16 14.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.9 pt20 -149.1 165.63 31.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.9 t80 -149.86 143.32 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.3 m -102.15 121.55 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.36 115.56 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.3 p -114.26 163.32 15.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.52 65.14 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -124.55 162.07 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 10.9 ttmt -92.13 125.76 55.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.93 163.57 35.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 60.87 44.04 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -151.8 -178.63 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.938 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' HG23 ' A' ' 119' ' ' VAL . 25.7 t -122.34 130.82 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.669 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.3 m-85 -117.21 127.42 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 115' ' ' GLU . 0.6 OUTLIER -93.55 113.75 25.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.583 ' CD1' HG13 ' A' ' 118' ' ' VAL . 11.7 m-85 -95.61 116.51 28.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -105.86 111.25 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.455 HG22 ' CD1' ' A' ' 48' ' ' TRP . 21.6 mt -97.15 137.15 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.0 m -148.06 154.57 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.4 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.67 157.33 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 43.3 tt0 -116.98 120.5 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.5 p -122.98 178.07 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -62.04 -20.11 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 6.4 mmmt -84.57 -38.98 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.99 -132.54 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.5 m95 -114.24 116.92 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.427 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -81.79 -154.99 13.88 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -49.22 167.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.96 132.7 30.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.52 120.38 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 1.8 mp0 -96.32 125.89 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -136.71 120.11 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.431 ' CD2' ' CG ' ' A' ' 68' ' ' ASN . 1.3 mt -87.9 145.92 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.583 HG13 ' CD1' ' A' ' 100' ' ' PHE . 7.5 p -150.47 127.81 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.1 t -84.58 158.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 2.1 p -114.0 114.63 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.3 t -176.7 170.59 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -87.85 -37.65 16.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -69.56 171.7 8.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -54.42 2.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.22 159.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.77 123.77 0.9 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.06 32.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.0 p -174.14 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -74.89 163.99 27.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.97 167.98 4.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.29 170.16 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.47 175.12 37.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -163.69 170.34 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.747 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -137.12 165.18 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.1 160.41 33.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 99.59 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -121.31 161.71 21.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.68 -175.14 31.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.36 123.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.33 130.5 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m 178.72 154.59 0.55 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -53.01 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.449 1.762 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t 71.28 84.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -80.52 160.04 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.46 31.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.4 mt -96.89 131.24 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.48 84.88 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -148.77 62.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.82 84.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.06 -60.13 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.15 174.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.01 129.74 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.95 152.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -43.26 158.98 0.23 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.37 42.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.437 1.756 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.41 -171.23 21.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 141.08 26.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.95 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -90.54 160.35 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.45 44.87 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 HG23 ' CB ' ' A' ' 116' ' ' ALA . 5.6 mm -89.08 101.71 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.4 mm? -126.75 151.05 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 86.8 m-85 -115.19 89.42 20.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.546 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.6 tt0 -124.3 107.75 11.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.36 115.14 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' SER . 23.1 mtp180 -104.52 -162.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -83.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 p -88.66 26.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 44.6 m -166.43 118.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.5 m -128.67 167.6 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.5 ttm-85 -155.66 115.21 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -113.34 169.93 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.546 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -137.61 139.74 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 32.1 p90 -129.29 -178.73 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -135.45 162.63 56.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.36 40.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.772 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.76 -31.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.51 86.0 17.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.23 42.96 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.16 126.63 1.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.26 127.65 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.5 mm -73.51 133.6 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 3.7 mp -102.74 -27.12 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 178.24 -169.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 104' ' ' ALA . 19.1 m-85 -142.62 172.53 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.539 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.1 tt0 -137.72 132.97 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.57 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.92 107.45 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.454 ' CG2' ' OE1' ' A' ' 62' ' ' GLN . 15.6 p -98.36 125.98 43.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 76' ' ' THR . 2.7 p80 -118.16 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.9 156.24 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 98' ' ' TYR . 13.3 mt -81.54 120.05 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -57.95 -16.92 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' THR . 31.2 p -138.21 -158.0 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.468 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.3 t 50.95 175.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 70' ' ' THR . 0.8 OUTLIER -76.28 155.54 34.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 179.34 118.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -54.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.6 p -145.11 -167.69 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -118.1 117.14 28.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' A' ' 65' ' ' HIS . 53.5 m -77.34 99.91 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.05 152.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.7 tt0 -129.27 136.26 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -88.69 127.41 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 87' ' ' TYR . 2.7 mt -108.16 172.26 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.66 168.17 28.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.99 -5.04 16.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.32 34.87 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.42 130.36 47.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 -24.85 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -145.53 159.25 43.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD1' HG21 ' A' ' 63' ' ' ILE . 19.3 t80 -143.59 135.79 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.0 m -93.42 124.21 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.98 114.92 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -116.94 156.94 26.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.37 52.69 5.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 2.7 mt -120.11 160.39 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.3 130.83 29.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.1 39.21 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 66.2 44.21 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.0 m -152.34 -174.44 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.2 t -127.76 134.59 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' A' ' 120' ' ' THR . 20.0 m-85 -122.08 131.21 53.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.431 HD23 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -94.73 119.01 32.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.541 ' CD1' HG11 ' A' ' 118' ' ' VAL . 17.4 m-85 -102.06 112.1 24.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 7.0 ttp180 -103.22 110.44 22.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.416 HG22 ' CG ' ' A' ' 31' ' ' PRO . 24.0 mt -97.61 136.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.486 ' OG1' ' CB ' ' A' ' 113' ' ' ALA . 18.5 m -148.18 154.33 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.449 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -106.15 161.04 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.4 tt0 -124.63 121.54 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -121.46 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 21.4 ptt180 -75.91 0.01 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 107' ' ' ARG . 2.5 mppt? -99.92 -48.05 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 161.02 -119.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 93.0 m95 -130.61 108.21 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.6 -159.38 4.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 167.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' CB ' ' OG1' ' A' ' 103' ' ' THR . . . -138.34 144.98 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -99.04 118.94 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.439 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 2.0 mt-10 -98.41 120.52 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -132.8 124.17 27.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.3 141.22 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 8.0 p -145.75 126.25 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.62 148.19 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 98' ' ' TYR . 4.1 p -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t -177.33 169.74 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.62 -20.49 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -81.2 138.0 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.67 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 m 62.5 125.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.09 -147.13 5.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.13 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m -120.82 142.89 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.92 94.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -165.71 112.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 t -99.63 163.89 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.15 174.45 39.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.81 127.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 p -172.76 168.82 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.68 167.2 36.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 158.71 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' C ' ' A' ' 9' ' ' ILE . 1.6 pp -113.26 174.31 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.27 145.67 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 179.9 167.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.61 164.85 38.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -176.77 99.5 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.62 25.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.464 1.771 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.05 150.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -61.41 131.11 92.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.79 35.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.5 2.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -48.9 156.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.18 60.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 1.9 tp10 179.55 115.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 164.13 95.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.58 -63.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 3.5 tt -126.62 119.86 28.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -179.27 131.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 2.3 m-20 82.49 152.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 1.6 m -56.57 162.58 3.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.66 22.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.65 -169.29 45.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.02 136.03 19.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.51 2.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -89.07 163.27 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG21 ' CB ' ' A' ' 116' ' ' ALA . 4.3 mm -89.39 104.12 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -125.93 155.14 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CE1' HG11 ' A' ' 118' ' ' VAL . 61.8 m-85 -118.3 91.51 40.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.01 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' ARG . 42.0 tt0 -113.78 113.02 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 118' ' ' VAL . 54.0 t -140.06 118.7 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.6 mtp180 -114.76 -163.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -68.34 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 68.2 p -89.93 24.05 2.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -157.68 129.68 7.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 92' ' ' LEU . 2.3 m -142.35 172.52 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.3 ttm-85 -160.7 106.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -106.35 169.43 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.498 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.15 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.577 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 29.3 p90 -133.47 174.75 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.19 160.55 66.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 151.76 39.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.483 1.781 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.02 123.19 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.62 -32.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.19 83.98 16.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -74.95 -34.94 3.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.8 49.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.86 109.44 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.22 107.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 61' ' ' TYR . 34.6 mm -52.88 125.35 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 mt -98.24 -24.09 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 177.26 -170.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -142.25 172.75 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CD ' ' CG1' ' A' ' 77' ' ' VAL . 34.5 tt0 -137.37 135.35 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.577 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -126.43 121.32 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -117.0 123.59 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -124.02 128.32 49.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' LEU . 26.7 ptt180 -161.55 137.75 8.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.6 OUTLIER -38.24 125.32 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.425 ' C ' ' CG2' ' A' ' 69' ' ' THR . 65.4 t30 -62.81 -12.56 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 37.6 p -151.48 95.98 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -178.01 178.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.456 ' N ' HG21 ' A' ' 70' ' ' THR . 76.6 p -130.46 115.25 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.93 173.48 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -64.59 -48.64 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -168.11 168.49 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -94.05 130.62 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 m -64.95 98.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.489 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 76.3 t -87.26 132.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.3 tt0 -126.1 135.86 52.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.94 128.93 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.4 mt -107.96 172.44 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.58 168.88 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.425 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -75.01 -7.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -114.16 33.41 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.968 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.47 118.63 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -16.75 14.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.482 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.1 pt20 -147.21 157.91 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 63' ' ' ILE . 67.3 t80 -143.8 134.4 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -93.0 117.09 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -99.45 114.14 26.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -113.09 158.15 20.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.81 3.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.7 mt -122.51 159.04 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.6 ttmm -89.46 125.08 62.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -74.99 160.01 40.72 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.99 41.3 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -148.45 -174.32 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.76 125.22 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.674 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.4 m-85 -111.36 129.33 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD23 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -93.42 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' HG11 ' A' ' 118' ' ' VAL . 14.3 m-85 -99.74 112.87 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.4 ttp180 -103.78 111.3 23.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.516 HG22 ' CD1' ' A' ' 48' ' ' TRP . 23.1 mt -97.54 138.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.6 m -148.49 157.1 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -110.49 160.29 16.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 38.6 tt0 -123.55 121.62 36.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -123.09 -169.32 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.34 -13.52 60.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 13.1 mmmt -91.25 -36.82 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.3 -129.28 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.8 m95 -118.3 115.75 25.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.411 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -76.79 -153.38 5.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -53.27 169.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -137.96 134.14 34.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.77 118.66 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.47 ' CG ' HD23 ' A' ' 99' ' ' LEU . 8.3 mt-10 -96.15 128.28 42.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -137.52 125.64 22.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.57 145.89 24.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.3 p -151.13 126.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.7 t -86.94 151.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.9 p -98.87 110.32 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 t -178.17 171.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' LYS . 56.5 mt-10 -94.6 -47.6 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.8 OUTLIER 38.27 -155.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -161.26 -64.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.1 170.99 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -132.36 96.72 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.48 5.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.2 t -134.58 139.23 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.71 153.8 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p 177.18 141.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -168.62 169.11 10.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.29 152.84 5.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.02 125.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -167.88 170.45 10.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.052 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.2 134.53 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -173.97 141.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.0 157.53 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.25 98.97 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -179.69 161.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.24 106.43 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -178.81 96.96 0.21 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.028 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 p -114.85 157.73 22.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 165.61 27.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.55 39.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.44 20.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -84.25 131.94 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.13 107.24 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.29 80.59 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 171.25 106.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.17 -71.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -134.23 -161.84 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' CG ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -176.3 168.8 2.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER 71.5 161.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -87.91 160.59 46.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 166.29 29.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.35 -164.07 39.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.76 18.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -74.99 108.23 2.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -91.77 163.47 14.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.32 6.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.434 HG21 ' CB ' ' A' ' 116' ' ' ALA . 4.2 mm -88.5 104.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.9 mm? -128.88 158.35 39.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 72.5 m-85 -121.33 92.87 48.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 45' ' ' ARG . 59.0 tt0 -118.42 112.41 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.32 115.76 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' SER . 17.5 mtp180 -104.71 -162.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.2 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.9 p -89.34 27.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 3.3 p -166.97 115.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.9 m -126.41 165.48 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.33 117.2 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -119.31 168.51 10.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.502 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -135.59 157.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 37.1 p90 -146.5 175.37 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.74 163.43 50.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.77 39.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.04 119.15 5.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . . . -40.09 -30.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.38 84.19 17.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.23 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 9.3 m-80 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.53 126.27 2.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.32 123.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.415 HG22 ' CE1' ' A' ' 61' ' ' TYR . 36.9 mm -68.25 127.78 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 4.0 mp -93.63 -27.04 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.32 -169.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 103' ' ' THR . 15.2 m-85 -141.41 170.8 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.7 tt0 -134.74 131.89 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.37 111.58 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -107.76 132.12 53.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 2.1 p-80 -127.61 139.0 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 1.4 ptm180 -161.66 154.57 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 98' ' ' TYR . 11.3 mt -72.58 108.16 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -47.34 -30.02 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.7 p -148.32 116.83 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 9.7 t -174.89 -152.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.451 ' N ' ' OG1' ' A' ' 70' ' ' THR . 24.2 p -100.4 139.91 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 73.37 179.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -139.39 96.67 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 p -150.63 140.9 22.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -129.04 131.98 47.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.515 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 37.8 m -82.44 97.73 8.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.7 t -82.79 135.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -135.01 136.41 42.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.24 133.0 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 87' ' ' TYR . 3.5 mt -117.51 172.11 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.74 165.65 47.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.437 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.96 0.15 9.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -121.47 34.25 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.27 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -102.67 -23.94 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.3 pt20 -146.17 163.3 35.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.3 t80 -149.01 126.36 11.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -83.85 127.39 33.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.86 115.24 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.1 p -116.67 154.88 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.21 50.77 5.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 2.9 mt -117.32 154.4 31.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HE2' ' OG ' ' A' ' 96' ' ' SER . 12.9 ttpt -85.09 129.52 55.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.0 Cg_endo -75.04 155.04 42.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 65.96 44.22 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -141.47 -169.09 2.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.452 ' CG1' HD23 ' A' ' 117' ' ' LEU . 66.0 t -134.98 103.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.588 ' CE1' HD21 ' A' ' 67' ' ' LEU . 18.0 m-85 -96.05 126.56 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.433 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -92.19 122.43 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.552 ' CD1' HG13 ' A' ' 118' ' ' VAL . 17.5 m-85 -101.95 113.16 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.4 ttp180 -102.68 111.79 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.3 mt -99.82 139.29 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.461 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.3 m -148.51 162.06 40.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.13 155.28 33.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.4 tt0 -121.08 126.33 49.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 p -121.96 -170.23 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -76.74 -2.21 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 10.4 mmmt -105.45 -43.6 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.1 -163.45 31.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.6 m95 -89.78 119.37 30.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.19 -152.35 7.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.73 128.9 19.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -91.61 118.91 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -97.68 126.43 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -133.38 122.3 23.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.452 HD23 ' CG1' ' A' ' 97' ' ' VAL . 1.8 mt -91.47 139.2 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 9.1 p -144.68 124.63 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.436 ' CG2' HG23 ' A' ' 97' ' ' VAL . 6.7 t -86.27 146.99 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.7 p -96.87 117.31 30.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.2 t -175.28 169.77 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -95.86 -19.87 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.32 147.45 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -170.3 130.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.4 97.79 2.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.0 145.23 41.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.25 157.67 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 p -172.89 169.76 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 0.731 . . . . 0.0 109.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.91 158.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.77 142.13 10.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -117.58 -59.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.951 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.6 -59.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.44 -129.85 6.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -174.19 128.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 10' ' ' GLY . 8.7 mt -106.96 -80.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' N ' HG22 ' A' ' 9' ' ' ILE . . . 75.54 128.54 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.6 134.99 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.09 118.97 1.0 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.6 p -173.22 102.57 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.04 -67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.92 155.68 5.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.552 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.67 42.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 158.77 41.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 20' ' ' LEU . 24.8 mt -72.53 164.14 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mp -68.9 -128.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.71 171.08 14.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.29 86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -86.4 -66.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.6 115.45 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.76 119.16 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.63 152.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 4.7 m -41.79 159.93 0.17 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.25 18.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.88 -170.19 46.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.57 19.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.02 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -92.69 163.38 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 42.47 6.06 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 5.8 mm -90.21 99.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.3 mm? -124.68 150.21 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.9 m-85 -114.47 90.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.505 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.99 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ARG . 26.4 tt0 -112.32 116.89 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 73.4 t -142.91 129.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' SER . 13.6 mmt-85 -128.18 -169.76 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -66.25 -60.52 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 p -123.49 40.08 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.8 p -171.79 97.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.8 m -115.1 174.72 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ttm-85 -164.44 104.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -101.37 169.36 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.505 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -137.52 132.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 30.3 p90 -124.18 -176.83 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -140.97 162.96 45.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.92 37.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.05 120.03 5.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.73 -29.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.59 85.66 17.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.02 -34.6 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.13 42.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.0 150.31 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -78.5 106.54 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.91 116.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.76 -25.87 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.36 -175.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 103' ' ' THR . 10.3 m-85 -134.46 175.15 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.6 tt0 -140.21 133.96 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.591 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -126.23 111.02 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -103.81 129.28 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -126.52 125.41 41.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -159.61 135.21 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -40.0 130.48 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 62.9 t30 -68.55 -8.46 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.439 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 15.0 p -151.0 89.91 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -178.71 178.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 70' ' ' THR . 65.7 p -139.21 159.33 42.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.71 -68.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' CG2' ' A' ' 74' ' ' THR . 2.8 t30 170.5 -39.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 73' ' ' ASN . 16.5 p -155.7 -167.12 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.26 130.92 48.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 m -70.14 87.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.81 158.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.98 135.8 36.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.64 132.86 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.7 mt -113.35 171.75 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.79 166.56 41.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.429 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.4 Cg_endo -74.96 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.7 p -119.15 33.38 5.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.02 119.23 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.32 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 47' ' ' ILE . 3.9 pt20 -150.73 159.34 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' HG23 ' A' ' 63' ' ' ILE . 42.3 t80 -144.99 148.65 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.2 m -111.18 123.29 49.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' SER . . . -101.83 131.45 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.1 p -124.04 151.83 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.52 55.8 8.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.7 mt -113.15 145.8 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.71 123.93 88.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.07 164.22 33.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 51.74 35.52 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.473 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -134.24 -172.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' HG23 ' A' ' 119' ' ' VAL . 37.8 t -125.88 126.66 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.677 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.3 m-85 -116.89 127.02 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.1 tm? -94.29 111.59 23.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' A' ' 118' ' ' VAL . 13.5 m-85 -93.76 113.04 25.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.424 ' CD ' ' CG ' ' A' ' 115' ' ' GLU . 2.9 ttp85 -102.83 111.23 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mt -98.79 137.6 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.413 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 2.7 m -148.1 159.64 43.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.56 140.68 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -103.84 125.87 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -124.04 -168.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -73.56 -9.62 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 107' ' ' ARG . 0.8 OUTLIER -97.06 -37.01 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.72 -138.69 7.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 89.8 m95 -109.37 111.94 23.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.88 -150.14 4.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 166.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.29 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.61 117.37 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.465 ' CB ' HD21 ' A' ' 99' ' ' LEU . 12.5 mt-10 -97.9 124.48 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.457 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -132.98 124.76 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 2.1 mt -92.34 135.73 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.1 p -138.56 125.84 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.1 t -89.04 139.09 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 41' ' ' THR . 24.0 p -92.65 122.76 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 t -176.21 168.14 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -85.01 -45.57 12.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.5 136.32 56.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.85 173.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.15 80.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 159.5 -75.16 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.51 174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.3 p -132.09 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.62 145.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -173.72 168.42 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.0 151.43 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.09 162.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -166.99 162.39 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.91 155.44 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 101.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -109.45 136.07 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.63 155.02 23.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.22 162.48 4.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.806 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.29 138.91 4.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.33 80.04 1.07 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.69 10.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -62.54 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 t-80 66.45 145.21 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 16' ' ' HIS . 18.5 Cg_endo -75.01 158.07 42.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.7 mt -90.64 143.21 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -131.19 76.38 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.4 84.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -147.51 87.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 m -80.12 -77.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.55 138.81 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.45 168.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -167.71 155.1 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.5 m -48.01 159.68 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.05 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.14 -171.11 24.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.02 133.51 16.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.99 107.66 2.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -89.21 161.17 16.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.48 43.55 5.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG23 ' CB ' ' A' ' 116' ' ' ALA . 5.0 mm -91.85 104.16 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.1 mm? -128.16 155.39 44.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CE1' HG11 ' A' ' 118' ' ' VAL . 81.1 m-85 -118.83 93.15 45.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.0 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' ARG . 47.8 tt0 -117.36 111.17 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.4 118.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp180 -109.64 -163.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -67.54 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -88.14 25.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.5 p -160.65 116.65 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 3.0 m -129.91 167.16 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.8 ttm-85 -151.38 105.24 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -106.15 169.59 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.512 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.04 154.57 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 35.8 p90 -144.34 179.96 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -136.79 162.65 54.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.06 37.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.03 120.35 6.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.75 -27.48 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.3 86.71 18.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.04 -31.79 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 18.0 p30 38.19 36.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.83 130.51 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -57.28 133.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 61' ' ' TYR . 18.0 mm -80.87 130.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -98.68 -22.13 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.25 -171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.1 m-85 -140.29 167.38 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 31.7 tt0 -132.47 135.37 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -126.14 108.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 p -104.05 133.71 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -131.76 133.8 45.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LEU . 19.1 ptt85 -162.53 133.68 5.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.681 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -38.34 126.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' CG ' ' CD2' ' A' ' 117' ' ' LEU . 45.5 t30 -70.71 -5.62 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.452 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 17.9 p -150.86 69.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER 173.51 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 70' ' ' THR . 3.6 t 36.1 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 71' ' ' THR . . . 177.29 -173.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' THR . 5.2 p-10 -55.77 -30.1 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 73' ' ' ASN . 2.4 p -159.76 -171.56 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.13 134.27 47.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 m -80.67 85.2 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.92 158.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -133.83 135.75 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.9 t -90.99 137.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 63' ' ' ILE . 2.5 mt -119.21 171.97 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.83 168.14 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.431 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -74.97 -9.1 20.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -113.01 32.38 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.28 124.18 44.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -26.77 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.0 pt20 -144.73 161.95 37.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CD2' HG23 ' A' ' 63' ' ' ILE . 28.6 t80 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.3 m -115.63 124.65 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.91 114.48 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -113.94 152.52 30.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.96 58.06 4.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.6 mt -118.73 153.51 34.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -83.48 125.04 74.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 161.7 38.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 62.62 38.31 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -145.87 -175.93 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.073 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' HG23 ' A' ' 119' ' ' VAL . 11.3 t -125.42 129.28 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.681 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.1 m-85 -114.6 128.06 56.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.481 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -90.13 110.6 21.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.576 ' CD1' HG11 ' A' ' 118' ' ' VAL . 11.5 m-85 -93.93 112.76 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 ttp-105 -104.14 112.84 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 mt -99.22 138.59 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -148.28 160.39 43.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.46 152.24 33.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.1 tt0 -114.19 123.97 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -123.87 -168.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -78.88 1.7 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 9.3 mmmt -108.49 -31.41 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.0 -135.32 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.4 m95 -114.27 112.83 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.27 -152.93 6.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -47.74 166.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.44 134.97 31.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -94.77 118.88 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.481 ' CG ' HD21 ' A' ' 99' ' ' LEU . 3.2 mt-10 -97.69 126.11 42.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -135.26 128.07 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.458 ' CD2' ' CG ' ' A' ' 68' ' ' ASN . 1.6 mt -93.85 141.32 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 100' ' ' PHE . 8.8 p -146.6 121.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 97' ' ' VAL . 3.0 t -83.22 147.26 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.8 p -98.6 116.66 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 t -177.89 171.42 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.83 -20.62 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -83.14 162.75 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 157.15 42.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.56 172.21 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -155.83 153.8 25.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 140.78 25.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.11 85.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.8 t 73.64 -58.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.22 148.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.15 170.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.46 153.99 25.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.36 167.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.95 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -160.83 163.08 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.15 -135.63 11.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 51.82 89.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 pp -123.97 166.64 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 131.56 5.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.51 137.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.61 126.94 3.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 p 179.79 85.64 0.19 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 p 173.11 160.6 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -141.96 147.28 44.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.6 31.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.56 41.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.59 131.44 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.92 106.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 176.56 98.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.87 102.37 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -68.4 -48.08 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.15 152.45 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -169.89 -179.86 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 3.1 m -90.8 160.77 37.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.89 -167.7 30.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.16 17.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.99 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -87.76 160.37 18.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.69 45.06 5.01 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 5.9 mm -91.8 115.57 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 91.0 mt -140.52 157.55 45.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE2' HG13 ' A' ' 118' ' ' VAL . 94.0 m-85 -121.17 93.72 48.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.5 tt0 -117.92 111.26 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.14 114.07 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -101.47 -161.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -76.06 -81.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.456 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.1 p -87.28 23.05 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 72.2 m -165.64 128.64 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 2.9 m -137.44 168.72 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 38' ' ' GLU . 14.5 ttm180 -152.45 109.11 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -109.04 169.57 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -135.1 165.45 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.589 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 29.3 p90 -159.19 178.48 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -135.23 162.89 54.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.58 40.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 124.87 8.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.79 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.77 84.98 21.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 41.99 45.24 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.55 127.67 1.47 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.35 130.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' CE1' ' A' ' 61' ' ' TYR . 13.7 mm -78.33 129.59 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 179.0 -162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE1' HG23 ' A' ' 58' ' ' ILE . 19.2 m-85 -148.96 171.28 16.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 25.3 tt0 -138.07 132.98 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -125.59 107.63 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.6 p -98.27 160.04 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 p-80 -156.85 131.63 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -162.08 131.15 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -37.2 119.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -50.58 -20.21 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 67' ' ' LEU . 24.1 p -148.1 -126.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.524 ' CG2' ' N ' ' A' ' 71' ' ' THR . 0.5 OUTLIER 46.15 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.524 ' N ' ' CG2' ' A' ' 70' ' ' THR . 41.2 p -68.99 92.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.36 150.58 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' O ' ' OG1' ' A' ' 74' ' ' THR . 1.6 t-20 -165.46 93.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 51.5 p 49.93 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 122.47 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 m -87.95 86.72 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.74 154.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -132.57 136.28 46.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -85.33 131.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 3.6 mt -113.27 170.6 8.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.03 166.5 41.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.431 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.1 Cg_endo -74.99 -1.55 11.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.02 35.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.87 126.97 51.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 -27.71 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 10.4 pt20 -142.56 162.06 36.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CD2' HG23 ' A' ' 63' ' ' ILE . 43.4 t80 -142.53 150.62 40.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.6 m -107.9 124.97 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.21 118.4 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -118.41 154.23 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.71 58.35 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.5 mt -119.83 164.1 16.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 6.1 ttmm -92.39 128.05 46.27 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 18.1 Cg_endo -74.99 161.99 37.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 58.2 43.72 20.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.486 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -150.52 167.95 25.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.61 129.02 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.1 m-85 -114.73 123.87 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -86.01 109.64 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.574 ' CD1' HG13 ' A' ' 118' ' ' VAL . 10.8 m-85 -93.65 114.49 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp180 -105.85 113.47 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.7 mt -98.77 138.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.6 m -148.93 159.74 43.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -115.03 159.23 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.3 tt0 -120.34 125.51 48.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -123.86 -170.84 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -80.56 2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 11.0 mmmt -111.52 -28.7 8.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 143.7 -144.54 13.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 85.8 m95 -108.59 118.48 36.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.95 -152.61 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -51.9 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -144.19 130.75 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.19 118.68 31.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.3 mt-10 -95.94 127.21 41.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -135.55 127.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.9 136.79 34.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.577 HG13 ' CE2' ' A' ' 36' ' ' PHE . 13.1 p -142.61 123.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' SER . 2.8 t -80.57 148.81 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 p -95.03 106.83 18.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 122' ' ' GLU . 3.6 t -174.27 177.58 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' N ' ' OG1' ' A' ' 121' ' ' THR . 26.8 mt-10 -88.99 -36.96 15.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 177.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 147.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 m -166.75 91.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -40.93 100.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.15 7.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 90.7 p -137.97 160.9 38.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 t -178.75 159.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -166.1 137.32 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.69 153.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.65 112.82 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.86 96.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.28 149.93 47.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.05 175.75 20.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.04 147.39 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 mm 64.11 117.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.83 79.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.99 152.13 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.41 162.63 24.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.7 93.17 6.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.99 41.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 165.35 22.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.94 137.39 65.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 151.37 39.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 115.08 4.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -40.34 135.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.56 110.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.24 171.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 78.68 4.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -85.06 -57.42 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -93.12 171.41 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -109.0 128.43 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 176.85 155.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 6.5 m -47.42 159.49 0.42 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.01 -174.18 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.72 -176.38 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.66 23.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.07 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -90.04 161.87 15.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 45.36 4.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.173 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.3 mm -90.46 113.95 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 76.5 mt -136.11 153.82 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.9 m-85 -117.6 92.68 41.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 44.9 tt0 -113.15 115.9 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 118' ' ' VAL . 69.6 t -141.33 107.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.3 mtp180 -100.64 -166.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 69.5 p -95.83 30.9 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.9 p -167.79 123.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 m -131.6 168.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.4 ttm-85 -156.19 105.9 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -106.41 169.6 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -136.54 158.77 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 35.4 p90 -149.17 176.38 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -130.03 162.95 50.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.48 38.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.04 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.96 85.82 18.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 -33.21 4.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 23.3 p30 40.19 43.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.44 124.2 0.98 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 mp -53.07 121.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.99 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.88 -21.85 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.78 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -142.57 172.85 12.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 45.8 tt0 -137.24 133.17 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -123.01 113.82 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 p -109.86 121.39 45.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.412 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 15.2 p80 -118.45 131.16 56.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.588 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.26 127.76 10.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 98' ' ' TYR . 7.6 mt -46.93 137.35 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 97' ' ' VAL . 38.6 t30 -80.03 4.02 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.1 p -144.37 65.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 69' ' ' THR . 1.6 p -160.52 -50.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 70' ' ' THR . 63.4 p 46.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.69 -175.68 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.39 -62.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 p -134.55 -170.95 2.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.43 164.74 23.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.412 ' HB ' ' NE2' ' A' ' 65' ' ' HIS . 18.1 m -76.73 99.14 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 ' CG ' ' A' ' 62' ' ' GLN . 58.8 t -94.89 148.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.5 tt0 -146.32 135.46 22.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -93.91 127.12 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.8 mt -107.64 170.53 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.77 166.93 41.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.429 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.3 Cg_endo -75.01 -2.84 13.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -119.04 34.47 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.21 124.41 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -108.17 -18.57 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 pt20 -150.2 165.72 32.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 63' ' ' ILE . 4.8 t80 -151.04 131.8 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -92.41 134.38 35.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.12 115.37 28.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.8 p -116.8 156.72 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.01 53.27 4.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 2.3 mt -120.85 158.41 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.58 134.49 27.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.4 35.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 64.1 51.37 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 5.0 m -163.42 -174.47 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -135.72 147.72 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.532 ' CD1' HD23 ' A' ' 67' ' ' LEU . 62.1 m-85 -127.24 137.06 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 115' ' ' GLU . 1.1 tm? -91.39 109.04 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.555 ' CD1' HG11 ' A' ' 118' ' ' VAL . 23.0 m-85 -94.05 112.25 24.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.9 ttp180 -105.89 113.6 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.7 mt -99.08 139.71 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.3 m -148.28 160.15 43.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.6 156.24 26.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.9 tt0 -122.24 121.99 38.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.7 p -124.44 -167.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.67 -4.82 39.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -99.55 -40.09 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.63 -141.16 9.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 90.8 m95 -108.95 109.8 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.471 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.98 -152.43 6.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 165.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 99' ' ' LEU . 9.8 mt-10 -100.14 123.17 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.83 130.83 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.481 HD22 ' CG2' ' A' ' 97' ' ' VAL . 3.7 mt -99.29 148.46 24.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 5.0 p -149.46 129.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 25.4 t -90.35 147.21 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 p -100.33 117.28 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t -178.72 170.1 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.95 -20.97 18.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 113.09 14.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 162.37 27.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 m -116.61 -61.74 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.07 159.27 11.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.17 24.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.5 m -80.43 -56.79 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.3 t 54.21 95.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m 61.61 169.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -177.17 171.09 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.93 143.76 4.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 171.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.27 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.19 29.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 150.88 41.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mm -105.26 129.64 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.29 129.21 1.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -171.69 170.57 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 170.0 42.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.69 86.12 1.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.85 30.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.47 167.57 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -136.99 147.8 60.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.85 42.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 59.0 mt -84.91 58.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' ILE . 24.2 tp 39.16 -106.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 65.58 116.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -124.3 89.94 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -76.5 -56.81 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.2 145.82 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.24 166.38 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.2 156.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 108' ' ' LYS . 5.6 m -40.74 159.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 169.25 23.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.93 -168.66 45.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.06 135.33 18.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.91 108.1 2.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -88.8 162.75 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 45.87 4.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 6.6 mm -92.12 120.82 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 96.5 mt -144.59 150.22 37.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 83.8 m-85 -114.35 88.71 15.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -40.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' HH21 ' A' ' 45' ' ' ARG . 27.6 tt0 -119.54 117.92 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 67.6 t -143.19 118.09 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.8 mmt180 -109.35 -167.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -77.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -92.8 29.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ARG . 15.6 t -170.01 146.57 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 43' ' ' SER . 2.9 m -152.38 170.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.488 HH21 ' N ' ' A' ' 38' ' ' GLU . 9.0 ttp180 -155.62 113.99 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.03 170.49 7.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -140.28 127.38 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 24.5 p90 -117.94 -175.29 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -136.63 162.39 56.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.01 37.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.72 8.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.89 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -117.28 85.49 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER 41.1 42.87 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.14 132.52 1.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -60.6 112.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -57.68 136.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -110.46 -23.19 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.1 -170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -142.38 171.46 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 38.6 tt0 -136.06 137.95 41.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.579 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -129.13 111.49 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -106.0 128.27 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 23.8 p80 -123.37 139.52 53.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -161.86 152.37 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 10.0 mt -74.63 109.17 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' LEU . 58.2 p -132.06 -159.54 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 71' ' ' THR . 0.6 OUTLIER 53.98 174.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.456 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.487 ' N ' HG23 ' A' ' 70' ' ' THR . 69.5 p -37.09 130.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.58 136.47 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' O ' ' OG1' ' A' ' 74' ' ' THR . 1.0 OUTLIER -166.16 95.15 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 24.7 p 49.66 172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.41 124.97 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 20.1 m -63.43 94.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 62' ' ' GLN . 68.9 t -83.43 144.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.48 134.01 37.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -96.36 129.22 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.8 mt -110.33 172.28 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.27 167.88 31.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.433 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.5 Cg_endo -74.92 -0.0 9.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -123.99 32.52 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.79 112.95 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.16 -23.41 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 2.9 mp0 -128.05 175.2 8.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' HG21 ' A' ' 63' ' ' ILE . 36.6 t80 -161.11 147.91 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -111.42 127.49 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.59 124.54 50.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.0 p -126.49 152.4 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.76 56.48 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -121.95 165.5 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.8 ttmm -99.41 131.74 24.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 158.57 42.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 65.39 46.15 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.438 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 3.4 m -153.26 -179.1 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 119' ' ' VAL . 4.6 t -123.09 138.82 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 19.9 m-85 -126.05 131.46 52.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.3 tm? -94.85 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.571 ' CD1' HG13 ' A' ' 118' ' ' VAL . 16.6 m-85 -100.33 112.74 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.7 ttp180 -102.59 112.61 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.7 mt -97.76 137.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.4 m -147.35 160.0 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -112.71 160.6 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.1 tt0 -124.28 119.5 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -123.15 -168.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.66 -17.99 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 27' ' ' VAL . 10.7 mmmm -86.81 -41.82 13.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.28 -141.34 9.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 91.3 m95 -105.53 111.44 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.447 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -79.53 -151.19 6.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -51.63 163.49 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -137.74 138.7 39.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.79 121.42 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 125.54 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -137.58 123.63 20.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.24 148.09 23.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 6.3 p -149.79 128.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 97' ' ' VAL . 2.7 t -86.41 152.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 p -105.37 112.94 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 t -176.58 169.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -91.69 -28.29 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.3 145.9 39.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 120.19 19.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.73 106.04 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -168.78 102.1 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.6 m -98.68 145.61 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.52 170.63 9.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p 54.41 170.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.05 169.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.22 40.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -171.56 166.45 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.46 168.93 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.53 118.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.097 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -162.91 147.01 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mm 62.24 147.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.74 -65.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 60.43 164.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.71 91.2 0.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.04 113.02 1.59 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.02 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t 60.83 169.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -153.73 151.24 24.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.19 39.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 127.7 10.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.78 140.08 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.24 66.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -141.02 81.19 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.3 104.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -65.13 -45.88 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.83 124.43 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.94 130.88 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.57 143.7 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 11.3 m -41.09 159.25 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.24 33.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.549 1.815 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -168.4 38.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.14 22.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -74.99 108.49 2.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -88.85 161.32 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.04 42.8 5.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HG22 ' CB ' ' A' ' 116' ' ' ALA . 6.0 mm -88.8 97.43 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 2.8 mm? -121.38 151.34 40.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CE1' HG13 ' A' ' 118' ' ' VAL . 67.2 m-85 -115.36 91.96 30.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.522 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.97 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -113.88 116.53 29.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 59.7 t -140.34 108.9 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' SER . 12.3 mtp180 -99.1 -168.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -76.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 p -89.58 25.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 2.9 m -168.45 148.09 4.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 43' ' ' SER . 2.3 m -150.54 172.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.9 ttm180 -158.27 107.69 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -107.24 169.62 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.522 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.7 147.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 31.9 p90 -137.31 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -131.75 162.61 55.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.51 40.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.09 -30.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.29 84.45 17.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.92 2.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 45.85 44.67 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.61 137.69 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.59 128.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mm -72.54 126.16 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 59' ' ' LEU . 3.7 mp -93.43 -27.18 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.2 -170.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -138.93 169.57 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 22.5 tp60 -132.75 129.1 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.573 HD12 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -125.81 114.18 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 128.02 56.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.555 ' CE1' HG22 ' A' ' 76' ' ' THR . 1.3 p80 -118.24 123.33 45.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -137.63 143.63 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 98' ' ' TYR . 6.9 mt -72.47 117.06 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.505 ' CB ' HG22 ' A' ' 97' ' ' VAL . 7.7 t-20 -49.66 -34.44 18.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.432 ' CG2' ' OD1' ' A' ' 68' ' ' ASN . 19.5 p -132.21 103.89 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.509 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 15.3 t -175.74 -153.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.421 ' N ' HG23 ' A' ' 70' ' ' THR . 2.5 p -133.3 -105.48 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 70.25 -167.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 74' ' ' THR . 10.3 p-10 -107.24 -37.93 6.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 73' ' ' ASN . 20.7 p -157.09 -166.22 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -109.41 153.05 24.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.555 HG22 ' CE1' ' A' ' 65' ' ' HIS . 52.7 m -75.43 98.85 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' CG1' ' NE2' ' A' ' 62' ' ' GLN . 75.3 t -90.45 125.68 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -131.86 131.06 42.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 80' ' ' LEU . 1.9 t -91.01 144.14 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 63' ' ' ILE . 3.4 mt -123.11 172.21 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.25 166.85 32.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.432 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -74.99 0.25 9.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 30.47 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CZ2' ' A' ' 48' ' ' TRP . . . -106.26 105.38 15.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -14.79 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -147.24 179.68 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.477 ' CD2' HG23 ' A' ' 63' ' ' ILE . 23.6 t80 -158.49 151.66 22.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -111.47 129.22 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.77 119.26 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 p -123.54 154.85 38.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 56.83 3.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' A' ' 98' ' ' TYR . 1.9 mt -123.93 169.32 11.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -101.15 136.34 19.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' HG1' ' A' ' 120' ' ' THR . 0.9 OUTLIER 51.08 52.69 14.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 92.5 p -153.71 -171.24 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -137.12 135.7 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.593 ' CD1' HD21 ' A' ' 67' ' ' LEU . 24.5 m-85 -123.49 129.84 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 1.5 tm? -89.11 116.64 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.576 ' CD1' HG13 ' A' ' 118' ' ' VAL . 19.4 m-85 -99.42 111.88 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.484 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.7 ttp180 -102.11 109.16 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.0 mt -97.59 136.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.9 m -148.35 163.14 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -116.69 155.34 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.2 tt0 -119.62 122.58 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.7 -167.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -0.27 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.54 -46.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.69 -119.76 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.6 m95 -128.31 111.39 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -74.98 -156.23 5.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.84 173.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.51 131.52 18.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.58 119.76 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.484 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 14.8 mt-10 -100.73 122.94 44.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -135.14 122.16 21.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 97' ' ' VAL . 1.2 mt -92.8 135.77 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.585 HG13 ' CE1' ' A' ' 36' ' ' PHE . 2.9 p -133.53 122.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' SER . 13.7 t -81.46 145.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.452 ' HG1' ' N ' ' A' ' 95' ' ' GLU . 69.9 p -94.26 117.17 29.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t -179.12 170.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.27 106.7 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 172.11 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -93.33 133.98 36.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.0 m -70.29 156.91 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 152.19 80.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.75 17.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.32 143.93 27.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 t 64.63 167.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.78 147.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 109.958 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -177.9 159.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.78 163.34 12.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -176.17 142.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -175.73 160.32 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.64 -168.33 33.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -136.27 164.36 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 pt -81.02 167.86 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.19 -153.49 8.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 178.79 145.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.58 137.02 3.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -172.77 85.47 0.42 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.38 27.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.2 t -150.76 93.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -139.02 147.46 53.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.629 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 166.5 29.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.35 132.39 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -146.41 111.4 5.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.08 144.51 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.01 109.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -70.47 -58.22 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.85 141.56 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.61 166.35 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 152.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m -40.72 158.93 0.16 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.808 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.43 -167.12 41.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.31 21.59 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.5 Cg_endo -74.95 107.56 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -90.33 167.71 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.29 48.21 5.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.477 HG21 ' CB ' ' A' ' 116' ' ' ALA . 9.4 mm -93.53 114.24 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 89.2 mt -134.29 151.31 51.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 118' ' ' VAL . 69.3 m-85 -114.98 92.14 29.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD3' HD13 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -75.0 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.7 tt0 -113.94 115.97 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 118' ' ' VAL . 61.1 t -140.62 116.58 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' SER . 1.1 mtp-105 -110.56 -165.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -72.16 -82.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.6 p -90.28 26.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.2 m -164.08 135.88 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.58 170.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.4 ttm180 -157.94 108.23 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -107.83 169.53 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 HD13 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.21 142.05 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 31.5 p90 -131.25 178.89 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -133.3 161.49 63.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.42 41.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.02 121.38 6.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.45 -29.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.76 84.92 16.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.66 3.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER 40.08 41.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.75 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -62.18 108.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -53.76 131.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.43 -22.69 12.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 174.45 -170.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.549 ' CE1' HG23 ' A' ' 58' ' ' ILE . 30.1 m-85 -141.17 173.1 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.464 ' CG ' HG12 ' A' ' 77' ' ' VAL . 14.3 tt0 -135.69 134.05 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -128.23 121.19 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 77' ' ' VAL . 4.2 p -117.02 133.85 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 1.2 p80 -117.27 130.77 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -155.57 134.54 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD21 ' CE1' ' A' ' 98' ' ' TYR . 12.1 mt -61.92 137.17 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.526 ' CB ' HG22 ' A' ' 97' ' ' VAL . 62.8 t30 -78.23 1.45 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 70' ' ' THR . 15.6 p -142.51 78.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 69' ' ' THR . 1.2 p -159.62 -177.3 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 71' ' ' THR . 0.8 OUTLIER -78.47 1.42 22.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.14 -93.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 t30 70.9 -63.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -160.92 165.69 29.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -129.14 130.11 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 91.6 m -63.36 94.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.464 HG12 ' CG ' ' A' ' 62' ' ' GLN . 69.0 t -82.51 146.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -141.48 134.62 29.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.8 t -94.2 130.72 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.4 mt -113.13 172.61 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.79 167.03 38.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.44 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.5 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 p -121.52 34.02 5.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.19 114.47 28.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.2 mmm180 -97.87 -22.65 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.497 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.7 pt20 -144.27 163.73 32.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.45 ' CB ' HD13 ' A' ' 63' ' ' ILE . 2.9 t80 -147.13 138.69 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.8 m -93.87 129.49 40.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.15 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -119.88 164.67 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.47 51.31 12.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 1.2 mt -119.47 159.3 24.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.66 133.51 29.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.26 35.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 63.68 43.03 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 13.3 m -155.67 179.08 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -123.14 137.24 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 92' ' ' LEU . 24.6 m-85 -122.68 122.07 37.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.11 141.02 37.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD1' HG13 ' A' ' 118' ' ' VAL . 16.9 m-85 -120.49 110.08 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.483 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 2.1 ttp180 -99.15 107.9 20.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 48' ' ' TRP . 22.8 mt -98.33 137.98 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.8 m -148.34 159.46 43.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.95 156.0 27.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 4.5 tt0 -120.56 124.04 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -123.81 -168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.01 -8.57 56.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.65 -45.57 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.53 -145.16 12.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.1 m95 -105.5 120.25 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.68 -157.58 27.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 1.6 tt0 -48.36 171.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.94 133.97 30.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.07 117.94 30.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.483 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 22.7 mt-10 -96.65 121.18 38.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -130.17 123.12 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 1.2 mt -93.61 146.51 23.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 36' ' ' PHE . 3.5 p -147.66 127.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 9.3 t -87.57 144.32 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 41' ' ' THR . 11.8 p -100.82 116.3 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.1 t -176.95 168.84 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -104.54 103.96 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -118.07 105.89 12.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -83.62 91.74 7.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.1 -66.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 122.12 178.56 15.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.28 4.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.24 168.91 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.06 -59.5 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.14 141.04 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.56 142.26 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.31 70.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -117.18 141.77 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 m -86.63 79.2 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.48 -160.46 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.36 113.0 7.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.56 91.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.16 138.49 32.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t70 178.75 141.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.76 124.57 5.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.94 94.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 77.1 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.55 162.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -110.6 118.82 47.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.36 42.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.44 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.812 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.9 mm -59.3 137.79 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.17 103.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 151.68 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -145.19 99.64 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -70.18 -43.22 71.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.87 -177.79 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -172.19 150.81 2.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 171.63 154.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -40.74 159.36 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.72 -168.58 26.39 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.575 1.172 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.8 18.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.0 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -87.87 160.58 17.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.65 40.4 5.01 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 116' ' ' ALA . 4.7 mm -86.73 121.68 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 81.6 mt -147.43 149.65 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.3 m-85 -113.84 91.41 21.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.98 -49.7 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 35.5 tt0 -113.35 117.65 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG21 ' CG2' ' A' ' 118' ' ' VAL . 53.7 t -140.94 125.91 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.4 mtp180 -120.47 -168.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -81.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.1 p -89.89 28.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.0 t -167.12 144.25 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 43' ' ' SER . 2.0 m -151.97 171.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -157.09 116.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 102' ' ' ILE . 0.9 OUTLIER -114.69 169.64 8.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -138.8 136.78 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.579 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 25.0 p90 -128.32 -172.42 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -142.88 162.18 45.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.45 41.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.98 9.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 -29.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.26 85.71 16.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 39.99 42.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.55 128.33 1.03 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.77 111.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.763 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 61' ' ' TYR . 47.5 mm -57.35 134.01 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.28 -23.42 12.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 175.39 -170.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 58' ' ' ILE . 32.2 m-85 -143.56 173.97 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 36.9 tt0 -138.11 133.85 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.579 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.75 108.18 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' PHE . 17.0 p -99.19 163.88 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -157.57 134.37 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -161.2 132.38 5.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -45.69 125.99 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.524 ' CB ' ' CG2' ' A' ' 97' ' ' VAL . 49.4 t30 -69.34 -9.61 54.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 17.1 p -151.84 92.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 1.1 t -176.7 179.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 70' ' ' THR . 8.2 p -71.66 116.36 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.16 167.66 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 172.61 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.16 165.74 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.05 117.23 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 m -72.46 87.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.62 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.04 135.48 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.77 130.05 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 3.0 mt -109.68 171.82 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 168.75 24.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.425 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.2 Cg_endo -75.03 -6.8 18.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.11 36.24 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.8 127.03 48.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -24.91 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 4.7 pt20 -145.82 164.58 31.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 63' ' ' ILE . 33.8 t80 -146.0 125.1 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.2 m -90.27 128.45 36.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.36 140.52 37.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -140.98 141.87 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 81.18 55.17 3.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.83 173.81 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.3 ttmt -97.86 130.02 29.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.97 175.19 11.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 44.67 45.5 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.493 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -153.7 165.62 35.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' CG2' ' CB ' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -112.65 138.27 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.6 m-85 -121.43 120.14 34.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -79.5 107.71 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 118' ' ' VAL . 15.7 m-85 -92.11 112.31 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.462 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 4.3 ttt-85 -104.06 113.05 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 48' ' ' TRP . 18.8 mt -97.89 136.73 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.0 m -147.8 157.07 43.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.21 156.37 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 tt0 -119.25 123.71 44.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.6 p -123.91 -168.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -1.83 36.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -102.63 -36.04 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.0 -139.68 8.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.7 m95 -112.15 110.84 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.05 -152.73 5.94 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 164.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' A' ' 101' ' ' ARG . . . -139.34 137.48 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.1 121.4 32.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 4.7 mt-10 -100.47 123.56 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -136.98 125.47 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.506 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 1.6 mt -93.57 144.75 25.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.0 p -145.89 125.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.503 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 t -84.55 142.8 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 p -97.77 114.54 26.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.5 t -174.46 167.58 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -87.42 -44.82 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 138.8 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -101.83 96.52 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -57.34 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.19 97.62 0.55 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.0 30.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.812 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 80.5 p -128.31 102.6 6.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.52 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -162.7 169.59 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.807 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.46 169.97 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.43 -59.45 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -42.07 136.69 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -150.98 -58.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 -168.41 23.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.9 114.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.35 162.42 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.05 140.14 4.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.13 151.64 23.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.05 179.6 35.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -64.04 119.71 57.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.7 m 61.44 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -120.46 153.37 56.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.44 29.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 177.12 8.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -104.19 136.89 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.24 101.73 4.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -93.72 73.3 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.61 82.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -79.49 -63.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.06 142.07 51.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.98 173.68 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.21 156.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.4 m -40.66 159.31 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.05 23.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.39 48.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.0 138.02 22.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.0 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -92.81 160.83 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.95 42.28 6.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 HG23 ' CB ' ' A' ' 116' ' ' ALA . 5.8 mm -87.74 101.77 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -127.92 160.97 30.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 78.3 m-85 -123.26 93.36 48.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.9 tt0 -119.53 112.03 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.8 118.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . 22.4 mtp180 -107.48 -163.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 18.9 p -87.76 25.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.5 p -163.3 117.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 3.0 m -128.43 165.74 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.1 ttm180 -149.87 109.31 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -112.29 168.86 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.492 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -132.84 171.54 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 63' ' ' ILE . 36.3 p90 -161.95 176.88 10.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -133.15 161.65 62.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.61 41.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.58 85.44 16.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -34.34 3.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER 40.04 45.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.64 132.46 1.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -63.23 107.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -51.95 134.47 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.9 mt -109.79 -24.14 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . 176.39 -170.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 58' ' ' ILE . 31.6 m-85 -143.01 174.3 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 18.2 tt0 -140.47 139.68 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -131.18 114.9 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.446 ' CG2' HG22 ' A' ' 77' ' ' VAL . 25.6 p -108.15 128.4 54.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -125.04 134.3 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.77 144.13 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' CD2' ' CZ ' ' A' ' 98' ' ' TYR . 10.0 mt -61.38 124.51 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.401 ' C ' ' CG2' ' A' ' 69' ' ' THR . 19.5 t30 -63.08 -19.35 64.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' THR . 7.9 p -146.96 97.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -179.87 176.3 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 70' ' ' THR . 14.5 p -80.22 -110.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 74.77 171.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -104.93 -43.02 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.0 p -150.89 -164.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.77 145.23 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.2 m -80.99 103.82 11.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.446 HG22 ' CG2' ' A' ' 64' ' ' THR . 48.0 t -92.49 136.57 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -131.88 136.06 47.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -96.69 130.36 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 3.1 mt -110.08 172.76 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.71 168.17 27.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.412 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.1 Cg_endo -75.07 -4.59 15.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 m -116.95 34.12 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.72 126.98 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -25.76 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.9 pt20 -146.06 157.37 43.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.574 ' CD2' HG21 ' A' ' 63' ' ' ILE . 22.1 t80 -139.77 125.88 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.9 m -89.03 129.28 35.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 90' ' ' THR . . . -107.37 154.0 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 89' ' ' ALA . 33.1 p -155.71 152.89 29.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.16 64.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.664 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -70.02 159.48 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 18.9 ttmt -92.71 132.79 30.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.94 154.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 67.12 43.86 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 5.6 m -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.421 ' CG2' HG22 ' A' ' 119' ' ' VAL . 2.6 t -127.29 134.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.639 ' CZ ' ' CD2' ' A' ' 67' ' ' LEU . 43.7 m-85 -122.73 139.3 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.484 HD22 ' CG ' ' A' ' 115' ' ' GLU . 1.1 tm? -95.62 117.6 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CD1' HG13 ' A' ' 118' ' ' VAL . 18.4 m-85 -100.03 112.24 24.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.3 ttp180 -104.29 112.25 25.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.8 mt -98.38 137.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 m -147.52 157.45 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.42 162.1 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 52.3 tt0 -124.04 118.69 27.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -123.67 -169.02 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.29 -17.27 59.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -86.19 -35.11 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.2 -137.19 7.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 104' ' ' ALA . 94.2 m95 -110.99 111.15 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -75.87 -159.51 8.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -47.38 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -141.08 133.2 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.82 122.39 33.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.484 ' CG ' HD22 ' A' ' 99' ' ' LEU . 7.7 mt-10 -101.06 124.14 46.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -136.18 133.43 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mt -98.27 148.14 23.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.2 p -152.07 121.23 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.421 HG22 ' CG2' ' A' ' 97' ' ' VAL . 3.1 t -80.32 153.25 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.4 p -104.17 114.69 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t -176.57 171.51 2.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.03 -27.66 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -79.38 173.1 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -61.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.5 t -163.31 164.27 24.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.92 85.8 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.23 17.61 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -120.05 96.07 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.06 121.28 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.85 135.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -175.28 166.94 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.32 139.35 2.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -176.21 117.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.39 105.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.63 101.62 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -147.87 94.1 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 pt -126.82 165.24 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.8 93.45 2.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 177.64 163.14 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.12 66.11 1.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -179.18 92.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.18 113.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -125.24 153.1 71.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.46 42.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mp -66.12 164.16 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.4 tp -68.69 -130.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.57 178.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 64.45 20.36 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.2 p -95.83 97.16 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -168.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.72 95.66 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.48 153.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -64.89 160.52 54.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.81 -166.41 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.01 133.66 16.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.96 108.66 2.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -92.17 163.95 13.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.08 50.87 3.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 48' ' ' TRP . 6.5 mm -96.99 104.27 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 81.0 mt -122.76 149.8 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 70.8 m-85 -113.65 92.71 25.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HD3' HD11 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.97 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -119.69 117.75 29.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 50.1 t -139.53 117.23 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.6 mtp180 -109.03 -164.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' LEU . 68.8 p -82.03 8.92 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 29.5 m -144.4 142.73 30.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 92' ' ' LEU . 1.3 m -150.31 170.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -157.33 117.82 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.84 169.39 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -138.11 132.22 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CZ3' HD13 ' A' ' 63' ' ' ILE . 29.3 p90 -120.24 -178.72 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -136.09 162.34 57.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.16 40.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.41 7.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.2 -27.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.69 84.76 15.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.8 m-80 40.03 42.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.39 127.14 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.35 134.83 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 0.8 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.501 HG22 ' CE1' ' A' ' 61' ' ' TYR . 8.1 mm -83.76 126.47 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -95.36 -19.91 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HA ' ' N ' ' A' ' 82' ' ' PRO . . . 171.61 -172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 104' ' ' ALA . 24.1 m-85 -139.05 174.21 10.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.8 tt0 -138.63 132.32 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.578 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -124.01 106.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 101' ' ' ARG . 7.1 p -101.08 124.11 46.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -114.59 140.37 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -161.67 154.57 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.595 HD21 ' CD1' ' A' ' 98' ' ' TYR . 8.6 mt -79.45 111.23 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -39.81 -30.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' LEU . 51.0 p -131.27 -160.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 71' ' ' THR . 0.7 OUTLIER 50.56 176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 70' ' ' THR . 68.9 p -95.5 156.13 16.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 74' ' ' THR . . . -171.78 126.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -54.9 92.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 73' ' ' ASN . 18.6 p 47.96 178.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.79 111.07 23.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 m -68.1 96.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.38 148.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -128.12 135.64 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.05 130.86 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 63' ' ' ILE . 3.1 mt -110.35 172.48 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 166.65 39.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.437 ' N ' ' HA ' ' A' ' 60' ' ' ALA . 18.1 Cg_endo -75.05 -2.93 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -118.86 33.08 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.62 121.87 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -108.4 -5.97 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 12.6 pt20 -154.52 170.39 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CD2' HG21 ' A' ' 63' ' ' ILE . 31.1 t80 -156.29 146.78 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.2 m -103.45 130.03 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.51 124.57 52.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 p -133.14 152.65 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.99 44.19 6.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -110.73 176.11 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 96' ' ' SER . 0.0 OUTLIER -109.84 134.79 20.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.96 149.84 37.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' PRO . 2.2 mt-10 69.57 55.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.477 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 21.8 p -152.15 -170.55 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 119' ' ' VAL . 84.4 t -136.55 102.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.595 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.1 m-85 -96.61 140.02 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -107.99 131.58 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.478 ' CD2' HG12 ' A' ' 118' ' ' VAL . 21.8 m-85 -110.5 113.49 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -97.69 109.71 22.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.7 mt -97.02 135.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.1 m -148.29 152.0 36.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -106.84 154.78 20.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.7 tt0 -114.8 124.31 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -122.65 -178.1 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.31 -6.44 43.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -99.01 -40.31 8.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 153.35 -147.23 16.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 90.0 m95 -105.41 119.69 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.54 -156.66 22.96 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.419 ' HB3' ' CA ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -47.76 167.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.46 125.95 20.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.27 120.66 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 26.7 mt-10 -97.12 128.65 44.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -132.3 121.36 23.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.82 142.65 27.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 9.1 p -148.35 124.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 96' ' ' SER . 5.0 t -80.78 151.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.2 p -96.39 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 t -178.77 169.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.82 106.84 17.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.94 108.87 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -87.13 106.5 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.18 137.69 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.52 96.28 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.2 7.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -176.66 132.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.73 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.25 -166.8 31.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.1 17.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.683 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -88.58 160.66 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.62 44.79 4.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.826 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.5 mm -92.69 103.98 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.826 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -128.38 150.96 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 118' ' ' VAL . 67.7 m-85 -114.04 91.42 22.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.9 tt0 -113.11 114.54 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.572 HG11 ' CG2' ' A' ' 118' ' ' VAL . 65.4 t -141.4 114.73 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 43' ' ' SER . 8.8 mtp180 -108.34 -163.76 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.46 -77.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.0 p -101.92 34.06 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 2.9 p -168.95 113.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -125.0 169.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.1 ttm-85 -156.94 106.14 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD11 HD11 ' A' ' 102' ' ' ILE . 1.2 pt? -105.25 170.44 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.88 140.2 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.654 ' HB3' HD13 ' A' ' 102' ' ' ILE . 28.1 p90 -131.93 179.09 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -135.92 160.29 67.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.05 153.3 41.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.99 119.36 5.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.2 -28.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.43 85.44 16.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.75 2.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 42.29 44.46 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.7 134.26 2.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.2 128.32 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.917 HG21 ' CE1' ' A' ' 61' ' ' TYR . 26.8 mm -74.93 129.53 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.6 mp -96.95 -25.15 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.882 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.917 ' CE1' HG21 ' A' ' 58' ' ' ILE . 27.0 m-85 -137.15 174.14 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.9 tt0 -141.32 134.41 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.91 104.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 p -90.65 123.19 34.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -118.69 127.79 53.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 5.0 ptt180 -155.1 160.87 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 98' ' ' TYR . 5.5 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.81 128.99 46.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.882 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mt -107.45 172.66 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.58 168.62 26.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -4.25 15.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -118.96 33.41 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.44 121.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.03 -22.44 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.523 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -126.52 172.09 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.661 ' HD1' HD21 ' A' ' 80' ' ' LEU . 47.9 t80 -160.42 159.58 31.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.9 m -121.46 130.61 53.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.9 114.95 28.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -116.2 152.07 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 55.18 3.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 42' ' ' THR . 2.7 mt -121.46 141.89 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.66 129.32 83.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.2 39.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.76 48.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 75.1 m -157.4 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 119' ' ' VAL . 11.6 t -127.89 139.34 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.5 m-85 -124.44 136.63 54.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.6 tm? -97.4 119.59 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.489 ' N ' HD22 ' A' ' 99' ' ' LEU . 18.0 m-85 -104.14 112.18 25.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp85 -104.18 112.57 25.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 48' ' ' TRP . 18.8 mt -97.75 136.06 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -146.56 161.44 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -117.67 157.26 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 10.2 tt0 -119.95 125.54 48.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -123.6 -168.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -13.03 60.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.787 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.8 mmmt -95.74 -34.9 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.63 -144.11 12.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 73.9 m95 -105.36 122.54 46.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.3 -153.75 25.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -48.9 161.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.84 135.03 39.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.8 mt-10 -99.59 125.5 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -136.03 127.24 28.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.443 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.3 mt -92.59 150.38 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.572 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.3 p -152.62 130.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -89.88 154.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 121' ' ' THR . 7.9 p -107.69 113.82 27.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 108' ' ' LYS . 6.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.75 19.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -165.89 41.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.34 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.95 108.26 2.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -91.63 162.12 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 38.45 5.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.3 mm -87.03 111.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 47' ' ' ILE . 68.3 mt -134.53 149.87 50.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 77.4 m-85 -113.65 91.91 22.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.586 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -115.92 116.5 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 36' ' ' PHE . 54.6 t -140.48 124.57 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 mtp180 -119.12 -164.51 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.42 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 92' ' ' LEU . 67.2 p -88.22 20.2 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -155.44 137.97 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.2 m -147.62 174.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.6 ttm-85 -161.37 108.74 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.92 169.88 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.54 140.44 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.605 ' HB3' HD13 ' A' ' 102' ' ' ILE . 27.5 p90 -131.56 -179.59 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -136.76 162.18 57.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.92 152.76 41.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.05 123.03 7.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.57 84.68 15.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.76 3.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER 41.25 40.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.37 130.07 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -61.17 111.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.928 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -58.34 130.39 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.0 mt -102.47 -23.52 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.62 -170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.928 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -143.19 172.89 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.0 tt0 -138.4 139.42 38.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.878 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -132.05 116.99 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.1 p -113.23 129.92 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -125.31 129.99 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.606 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 10.6 ptt85 -162.01 138.43 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -97.22 131.74 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.3 mt -111.46 172.26 6.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.54 168.27 28.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.06 -5.93 17.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.85 32.57 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.15 117.0 33.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.35 -22.44 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -142.94 167.31 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.1 t80 -148.9 149.85 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 m -107.18 122.91 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.07 114.72 29.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -116.31 158.59 23.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 63.76 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -125.01 161.47 26.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.6 ttmt -90.13 125.95 58.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -75.05 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 59.68 45.04 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.27 -177.19 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 119' ' ' VAL . 23.6 t -122.87 127.77 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.686 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.7 m-85 -116.35 131.14 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -96.58 122.21 39.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.2 m-85 -102.35 112.85 25.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.2 ttp180 -101.4 109.01 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.701 HD11 HD11 ' A' ' 46' ' ' LEU . 23.8 mt -97.15 137.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.5 m -148.33 155.8 41.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -112.43 156.65 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 2.0 tt0 -117.21 126.11 52.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 p -123.96 -168.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.5 -14.08 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.3 mmmm -92.92 -37.03 12.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.54 -137.3 6.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 83.5 m95 -110.66 115.81 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.431 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.26 -144.33 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -61.22 169.23 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.96 133.13 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.31 121.75 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' A' ' 99' ' ' LEU . 51.9 mt-10 -97.47 127.35 43.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.66 120.0 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.65 142.11 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.553 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 p -146.46 125.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -84.91 145.77 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -98.23 115.37 28.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.9 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.01 163.98 34.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.61 -173.43 42.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 139.98 24.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.93 110.86 3.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -92.76 161.79 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 49.88 3.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.598 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mm -94.51 120.13 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 47' ' ' ILE . 62.7 mt -142.6 151.72 41.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG11 ' A' ' 118' ' ' VAL . 76.6 m-85 -114.91 91.45 26.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.01 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ARG . 21.8 tt0 -113.82 117.89 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 ' CG1' ' A' ' 44' ' ' VAL . 69.1 t -140.71 119.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.1 mmt180 -106.7 -165.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -78.54 -74.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.424 HG22 ' HD3' ' A' ' 94' ' ' PRO . 72.6 p -90.21 29.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 t -175.67 153.89 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.946 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.2 m -152.2 175.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.7 ttm-85 -155.74 104.03 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -104.81 170.45 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.24 150.36 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 102' ' ' ILE . 33.3 p90 -140.14 -176.09 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.51 161.64 57.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 151.56 39.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.04 124.12 8.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.83 -28.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.6 85.7 17.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.8 3.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.49 44.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.58 134.95 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.92 111.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.92 136.83 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 20.4 mt -110.58 -23.9 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.51 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.742 ' CE1' HG21 ' A' ' 58' ' ' ILE . 26.6 m-85 -141.88 168.99 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 7.1 tt0 -131.87 132.52 43.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.616 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.89 105.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.2 p -99.37 121.17 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -116.6 139.17 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 28.5 ptt180 -160.31 153.43 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 97' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.09 130.59 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -109.77 171.35 7.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.16 168.7 25.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -7.29 18.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -115.44 34.41 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.77 120.12 39.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -13.56 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.504 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.3 pt20 -154.15 165.12 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HD1' HD21 ' A' ' 80' ' ' LEU . 62.6 t80 -143.8 152.81 41.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.8 m -115.1 129.0 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.27 140.1 38.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -144.34 136.2 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.92 49.14 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mt -114.87 166.17 12.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 5.3 ttmm -92.84 127.57 47.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.528 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.95 156.75 43.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.07 56.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 69.7 m -164.33 -175.34 3.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 119' ' ' VAL . 8.3 t -123.36 138.78 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.599 ' CE1' HD21 ' A' ' 67' ' ' LEU . 21.9 m-85 -126.53 133.71 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.5 tm? -95.46 121.12 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.634 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 30.7 m-85 -107.37 112.72 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.2 ttp85 -103.71 114.69 29.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 48' ' ' TRP . 26.5 mt -97.79 139.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.6 m -147.9 160.25 42.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.3 160.35 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -124.26 120.45 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.46 -168.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 3.9 ptm180 -78.21 2.6 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.3 mppt? -102.97 -46.29 4.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.7 -121.4 1.05 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.8 m95 -128.82 109.27 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -73.73 -163.77 9.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.23 164.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.54 137.74 42.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.7 120.78 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 9.6 mt-10 -97.1 124.32 41.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.598 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.04 123.51 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.474 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.1 mt -91.4 154.34 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.739 HG11 ' CE1' ' A' ' 36' ' ' PHE . 4.7 p -156.53 125.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -81.98 147.7 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 121' ' ' THR . 4.4 p -101.49 112.65 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 120' ' ' THR . 8.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.98 175.5 11.15 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.1 -167.85 40.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.02 136.33 20.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.97 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -89.76 163.15 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.63 45.17 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.8 mm -92.32 117.11 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.803 ' O ' HD13 ' A' ' 47' ' ' ILE . 94.8 mt -142.27 155.15 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.635 ' CE2' HG11 ' A' ' 118' ' ' VAL . 84.1 m-85 -118.1 93.5 44.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.599 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ARG . 48.1 tt0 -119.83 109.59 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -138.74 113.69 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp85 -102.99 -162.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -71.48 -86.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 92' ' ' LEU . 59.2 p -87.45 24.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.435 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.1 p -162.42 114.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -125.99 163.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.2 ttm-85 -149.67 113.55 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -114.04 169.74 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.08 160.04 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 33.6 p90 -149.62 178.72 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -134.35 162.34 58.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.07 150.81 38.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -74.99 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.47 -28.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.04 85.48 18.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 43.01 46.17 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.53 129.24 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.19 113.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.839 HG21 ' CE1' ' A' ' 61' ' ' TYR . 45.0 mm -58.7 134.0 23.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 31.5 mt -108.03 -23.14 12.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.891 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -171.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.839 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.5 m-85 -142.35 174.1 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.6 tt0 -138.45 133.76 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.16 106.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -102.17 120.84 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 136.57 54.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -161.97 144.21 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.81 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -96.59 127.96 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.891 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -105.91 171.05 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.01 168.62 26.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 -9.25 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 p -112.55 33.95 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -112.38 -23.47 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 5.6 pt20 -149.72 168.81 22.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' HD2' HD21 ' A' ' 80' ' ' LEU . 23.9 t80 -151.17 137.14 18.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.6 m -101.93 125.36 48.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.09 123.77 45.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.3 p -122.79 156.52 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.52 63.08 2.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -128.11 171.41 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -102.77 130.17 24.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.7 39.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.51 43.31 3.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 67' ' ' LEU . 20.0 m -149.65 -177.2 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 119' ' ' VAL . 9.8 t -126.26 138.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.81 ' CE2' HD21 ' A' ' 67' ' ' LEU . 35.8 m-85 -126.48 128.42 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -92.2 116.3 28.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 25.8 m-85 -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.509 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.9 ttt180 -103.55 112.08 24.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 48' ' ' TRP . 29.4 mt -97.98 138.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' GLU . 10.7 m -148.55 157.7 43.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.25 158.3 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.3 tt0 -122.42 122.93 40.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 p -123.61 -167.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.76 -17.65 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.592 ' HB2' HG13 ' A' ' 27' ' ' VAL . 12.7 mmmm -87.19 -43.21 12.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 152.65 -135.14 4.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 88.0 m95 -112.03 117.05 31.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.38 -152.0 7.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -54.85 163.68 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -134.95 135.65 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.9 122.14 37.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.678 ' HB3' HD21 ' A' ' 99' ' ' LEU . 24.7 mt-10 -99.63 124.33 44.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.44 122.11 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.7 mt -91.23 144.87 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.3 p -148.74 126.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -85.86 149.91 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 41' ' ' THR . 6.0 p -99.47 112.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.47 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 108' ' ' LYS . 10.9 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.92 179.68 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.74 -171.47 34.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 137.36 21.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.05 110.74 3.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -90.67 160.97 15.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 50.83 3.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 116' ' ' ALA . 7.5 mm -95.25 123.75 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 47' ' ' ILE . 96.6 mt -147.61 151.33 36.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 118' ' ' VAL . 79.3 m-85 -114.77 91.42 25.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.582 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ARG . 23.9 tt0 -113.6 117.64 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG13 ' CG1' ' A' ' 44' ' ' VAL . 63.4 t -141.27 123.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 mmt85 -114.4 -169.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -70.72 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 94' ' ' PRO . 75.7 p -89.04 32.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 69.7 p -174.78 151.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 89' ' ' ALA . 5.2 m -153.68 178.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.6 ttm-85 -159.7 103.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -104.44 170.42 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.74 151.87 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 25.6 p90 -143.51 -174.4 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -140.68 161.55 53.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.96 150.62 38.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.97 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.99 -28.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.65 85.71 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 45.74 44.14 10.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.28 127.97 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.88 111.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.767 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.2 mm -57.82 135.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 28.8 mt -109.15 -24.55 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.17 -165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.767 ' HE1' HG21 ' A' ' 58' ' ' ILE . 16.4 m-85 -147.81 174.3 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.2 tt0 -139.56 132.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.812 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.3 102.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -88.77 121.11 30.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -113.44 132.27 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 98' ' ' TYR . 8.4 ptm180 -162.09 -174.79 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.87 133.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.927 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.9 mt -114.24 167.26 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -74.94 167.72 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -118.56 34.83 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.88 123.33 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -106.85 -20.4 13.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.8 pt20 -149.61 162.89 39.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.682 ' CD2' HG21 ' A' ' 63' ' ' ILE . 69.3 t80 -142.87 149.57 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 m -110.61 127.84 55.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.65 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.15 140.65 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 p -141.34 138.0 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.56 54.58 2.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 5.1 mt -115.91 168.12 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 ttmm -100.62 128.08 30.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.759 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.02 43.23 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.458 ' HB3' HD22 ' A' ' 67' ' ' LEU . 2.0 m -152.63 169.88 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 119' ' ' VAL . 4.2 t -111.86 129.87 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.797 ' CE1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 -114.02 136.06 53.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.7 tm? -98.4 116.73 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.2 m-85 -102.24 112.85 25.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 7.4 ttt-85 -105.71 115.65 30.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 46' ' ' LEU . 18.7 mt -99.95 139.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.5 m -148.24 159.42 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -113.18 160.19 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 37.1 tt0 -123.61 121.91 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -123.68 -167.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -74.87 -12.36 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 27' ' ' VAL . 1.7 mmmm -91.51 -44.04 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.1 -127.99 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 87.8 m95 -120.42 114.1 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.41 -156.5 9.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -51.21 163.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -136.07 140.37 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.2 121.25 36.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 121.64 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.56 127.49 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.4 mt -93.46 148.91 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.5 p -153.07 126.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.58 151.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -104.72 111.47 24.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.97 178.41 7.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.17 -169.21 34.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.03 137.16 21.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 110.79 3.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -91.36 161.39 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 42.49 6.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.888 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.3 mm -88.2 103.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.888 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.7 mm? -129.41 158.35 39.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 118' ' ' VAL . 81.6 m-85 -120.92 93.54 48.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.98 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.8 tt0 -118.9 111.95 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -139.77 119.36 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.9 mtp180 -107.15 -161.5 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.0 OUTLIER -69.06 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 92' ' ' LEU . 45.6 p -77.33 5.37 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -140.27 129.45 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.049 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -139.76 163.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.3 ttm180 -147.43 115.08 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -116.24 169.7 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -133.94 169.06 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.547 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 34.2 p90 -160.82 -176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.73 162.74 44.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 154.14 42.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.568 1.825 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.0 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.01 -29.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 85.0 16.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -36.86 2.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.0 42.34 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.99 129.04 1.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -58.17 129.28 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 ' CE1' ' A' ' 61' ' ' TYR . 23.3 mm -76.13 134.59 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.5 -23.72 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.14 -171.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -137.87 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.4 tt0 -139.07 131.92 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.52 104.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -93.18 125.87 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.65 124.36 49.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 28.2 ptt180 -151.15 153.12 34.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.7 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -92.62 129.05 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.953 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -107.84 172.2 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.1 167.48 35.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.5 p -118.71 34.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.68 132.8 44.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -24.37 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 47' ' ' ILE . 7.0 pt20 -145.98 166.23 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.621 ' HD2' HD21 ' A' ' 80' ' ' LEU . 17.5 t80 -147.16 137.7 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.5 m -100.04 131.01 46.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.787 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.22 144.95 31.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 p -148.08 146.22 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.56 50.23 4.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.667 ' O ' HG22 ' A' ' 42' ' ' THR . 1.2 mt -118.35 161.97 19.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -92.62 129.28 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.02 162.08 37.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 64.06 45.71 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 57.5 m -152.77 -175.36 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 119' ' ' VAL . 13.5 t -128.07 132.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 67' ' ' LEU . 25.6 m-85 -119.82 133.76 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.5 tm? -94.59 117.65 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 19.5 m-85 -100.16 112.56 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.8 ttp180 -103.0 112.3 25.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' A' ' 31' ' ' PRO . 26.5 mt -98.41 136.73 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -114.28 157.12 23.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.8 tt0 -118.71 125.41 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.429 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.4 p -123.88 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -78.56 -4.7 50.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.705 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -103.5 -30.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.39 -143.06 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 79.6 m95 -108.86 120.42 42.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.67 -153.04 17.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -50.77 165.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.89 138.06 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.15 121.9 37.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.56 ' CB ' HD21 ' A' ' 99' ' ' LEU . 10.3 mt-10 -99.64 123.58 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.11 127.06 33.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.52 140.58 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.1 p -145.27 123.44 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 97' ' ' VAL . 3.2 t -80.69 154.65 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -103.31 111.25 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 119' ' ' VAL . 2.9 t . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 3.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.73 8.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.31 -168.1 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.04 133.07 16.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.561 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.96 109.62 2.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -89.43 164.3 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.46 49.81 4.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.4 mm -97.08 109.36 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' ILE . 70.5 mt -129.92 149.23 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 64.4 m-85 -113.93 92.01 24.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.95 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.3 tt0 -113.91 114.74 26.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 36' ' ' PHE . 63.7 t -140.88 110.53 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 mtp85 -104.62 -164.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -69.01 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.426 HG22 ' HD3' ' A' ' 94' ' ' PRO . 12.3 p -90.57 24.82 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.1 p -159.07 130.96 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.801 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -141.12 174.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.2 ttm-85 -162.05 105.58 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 102' ' ' ILE . 1.1 pt? -104.48 169.54 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.22 130.89 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.742 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.7 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -135.3 162.41 57.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 149.92 37.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.02 120.35 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.77 -28.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.34 84.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 m120 39.47 42.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.36 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.8 mm -49.83 131.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.863 HG21 ' CE1' ' A' ' 61' ' ' TYR . 10.8 mm -84.02 125.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -97.53 -20.46 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.22 -169.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.863 ' CE1' HG21 ' A' ' 58' ' ' ILE . 28.8 m-85 -142.4 173.32 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 32.8 tt0 -138.57 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.9 119.12 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -115.23 129.96 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -128.34 133.13 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 33.8 ptt180 -162.08 135.7 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.669 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.2 t -97.32 126.24 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.963 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -106.8 171.08 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.39 167.35 37.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 -4.11 14.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 35.18 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.66 121.75 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -15.16 14.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.435 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -149.1 165.63 31.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.9 t80 -149.86 143.32 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.3 m -102.15 121.55 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.801 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.36 115.56 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.3 p -114.26 163.32 15.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.52 65.14 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -124.55 162.07 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 10.9 ttmt -92.13 125.76 55.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.93 163.57 35.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 60.87 44.04 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -151.8 -178.63 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.938 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 119' ' ' VAL . 25.7 t -122.34 130.82 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.669 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.3 m-85 -117.21 127.42 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.6 OUTLIER -93.55 113.75 25.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 11.7 m-85 -95.61 116.51 28.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.41 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 2.8 ttp180 -105.86 111.25 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.742 HD13 ' HB3' ' A' ' 48' ' ' TRP . 21.6 mt -97.15 137.15 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -148.06 154.57 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -108.67 157.33 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 43.3 tt0 -116.98 120.5 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.5 p -122.98 178.07 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -62.04 -20.11 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -84.57 -38.98 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.99 -132.54 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.5 m95 -114.24 116.92 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.427 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -81.79 -154.99 13.88 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -49.22 167.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -138.96 132.7 30.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -90.52 120.38 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.853 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp0 -96.32 125.89 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.509 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -136.71 120.11 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -87.9 145.92 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 p -150.47 127.81 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -84.58 158.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 41' ' ' THR . 2.1 p -114.0 114.63 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG13 ' HB3' ' A' ' 108' ' ' LYS . 6.5 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 157.37 42.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.437 1.756 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.41 -171.23 21.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -75.04 141.08 26.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.95 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -90.54 160.35 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 88.45 44.87 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.6 mm -89.08 101.71 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.4 mm? -126.75 151.05 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE2' HG11 ' A' ' 118' ' ' VAL . 86.8 m-85 -115.19 89.42 20.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.712 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.6 tt0 -124.3 107.75 11.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.36 115.14 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' SER . 23.1 mtp180 -104.52 -162.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -73.25 -83.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 92' ' ' LEU . 62.4 p -88.66 26.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 44.6 m -166.43 118.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -128.67 167.6 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.5 ttm-85 -155.66 115.21 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -113.34 169.93 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.75 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -137.61 139.74 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 32.1 p90 -129.29 -178.73 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -135.45 162.63 56.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.98 152.36 40.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.772 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.76 -31.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.51 86.0 17.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.23 42.96 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.16 126.63 1.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.26 127.65 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' TYR . 30.5 mm -73.51 133.6 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 106' ' ' THR . 3.7 mp -102.74 -27.12 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 178.24 -169.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.718 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.1 m-85 -142.62 172.53 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.1 tt0 -137.72 132.97 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.92 107.45 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.454 ' CG2' ' OE1' ' A' ' 62' ' ' GLN . 15.6 p -98.36 125.98 43.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -118.16 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.708 HH11 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -161.9 156.24 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 98' ' ' TYR . 13.3 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -88.69 127.41 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -108.16 172.26 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.66 168.17 28.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 -5.04 16.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.32 34.87 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.42 130.36 47.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 -24.85 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.75 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -145.53 159.25 43.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.652 ' HD2' HD21 ' A' ' 80' ' ' LEU . 19.3 t80 -143.59 135.79 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.0 m -93.42 124.21 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.797 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.98 114.92 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -116.94 156.94 26.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.37 52.69 5.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 98' ' ' TYR . 2.7 mt -120.11 160.39 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.3 130.83 29.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.03 161.1 39.21 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 66.2 44.21 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 67' ' ' LEU . 16.0 m -152.34 -174.44 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 119' ' ' VAL . 7.2 t -127.76 134.59 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.0 m-85 -122.08 131.21 53.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -94.73 119.01 32.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.669 ' N ' HD22 ' A' ' 99' ' ' LEU . 17.4 m-85 -102.06 112.1 24.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 7.0 ttp180 -103.22 110.44 22.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.628 HG22 ' HG3' ' A' ' 31' ' ' PRO . 24.0 mt -97.61 136.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 112' ' ' GLU . 18.5 m -148.18 154.33 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -106.15 161.04 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.4 tt0 -124.63 121.54 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.515 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.3 p -121.46 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.412 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 21.4 ptt180 -75.91 0.01 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.524 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.5 mppt? -99.92 -48.05 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 161.02 -119.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 93.0 m95 -130.61 108.21 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -72.6 -159.38 4.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -51.02 167.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.486 ' CB ' ' OG1' ' A' ' 103' ' ' THR . . . -138.34 144.98 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -99.04 118.94 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.744 ' CG ' HD21 ' A' ' 99' ' ' LEU . 2.0 mt-10 -98.41 120.52 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.502 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.8 124.17 27.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 3.3 mt -91.3 141.22 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.597 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.0 p -145.75 126.25 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -80.62 148.19 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 41' ' ' THR . 4.1 p -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.763 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 108' ' ' LYS . 1.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.66 22.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.65 -169.29 45.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.02 136.03 19.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.709 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.96 107.51 2.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -89.07 163.27 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.77 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.3 mm -89.39 104.12 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -125.93 155.14 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 61.8 m-85 -118.3 91.51 40.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.01 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' ARG . 42.0 tt0 -113.78 113.02 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.604 HG11 ' CG2' ' A' ' 118' ' ' VAL . 54.0 t -140.06 118.7 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.6 mtp180 -114.76 -163.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.2 p -68.34 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 92' ' ' LEU . 68.2 p -89.93 24.05 2.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -157.68 129.68 7.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -142.35 172.52 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.3 ttm-85 -160.7 106.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -106.35 169.43 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -137.15 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.646 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -133.47 174.75 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.19 160.55 66.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.02 151.76 39.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.483 1.781 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.02 123.19 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.62 -32.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.19 83.98 16.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -74.95 -34.94 3.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.8 49.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.86 109.44 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 57' ' ' ILE . 1.2 mp -45.22 107.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.925 HG21 ' CE1' ' A' ' 61' ' ' TYR . 34.6 mm -52.88 125.35 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.7 mt -98.24 -24.09 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.94 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.26 -170.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.925 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -142.25 172.75 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 34.5 tt0 -137.37 135.35 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.705 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -126.43 121.32 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -117.0 123.59 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -124.02 128.32 49.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' LEU . 26.7 ptt180 -161.55 137.75 8.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.94 128.93 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.94 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -107.96 172.44 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.58 168.88 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.01 -7.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -114.16 33.41 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.968 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.47 118.63 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -16.75 14.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 47' ' ' ILE . 3.1 pt20 -147.21 157.91 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.818 ' HD1' HD21 ' A' ' 80' ' ' LEU . 67.3 t80 -143.8 134.4 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -93.0 117.09 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.821 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -99.45 114.14 26.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -113.09 158.15 20.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.81 3.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.795 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -122.51 159.04 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.6 ttmm -89.46 125.08 62.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.99 160.01 40.72 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.99 41.3 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -148.45 -174.32 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 119' ' ' VAL . 10.7 t -127.76 125.22 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.674 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.4 m-85 -111.36 129.33 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -93.42 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.535 ' N ' HD22 ' A' ' 99' ' ' LEU . 14.3 m-85 -99.74 112.87 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.4 ttp180 -103.78 111.3 23.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.646 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.1 mt -97.54 138.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.6 m -148.49 157.1 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -110.49 160.29 16.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 38.6 tt0 -123.55 121.62 36.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -123.09 -169.32 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.34 -13.52 60.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.1 mmmt -91.25 -36.82 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.3 -129.28 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.8 m95 -118.3 115.75 25.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.411 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -76.79 -153.38 5.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -53.27 169.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.96 134.14 34.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.77 118.66 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.591 ' CG ' HD21 ' A' ' 99' ' ' LEU . 8.3 mt-10 -96.15 128.28 42.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.52 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -137.52 125.64 22.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.57 145.89 24.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' HG11 ' A' ' 39' ' ' VAL . 7.3 p -151.13 126.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 97' ' ' VAL . 3.7 t -86.94 151.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' PRO . 3.9 p -98.87 110.32 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.563 HG22 HG12 ' A' ' 119' ' ' VAL . 2.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.05 166.29 29.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.35 -164.07 39.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.76 18.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 108.23 2.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -91.77 163.47 14.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.32 6.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.825 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.2 mm -88.5 104.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.9 mm? -128.88 158.35 39.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 118' ' ' VAL . 72.5 m-85 -121.33 92.87 48.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 45' ' ' ARG . 59.0 tt0 -118.42 112.41 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.32 115.76 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' SER . 17.5 mtp180 -104.71 -162.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.2 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 92' ' ' LEU . 74.9 p -89.34 27.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 3.3 p -166.97 115.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -126.41 165.48 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.33 117.2 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -119.31 168.51 10.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.849 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -135.59 157.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.526 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 37.1 p90 -146.5 175.37 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.74 163.43 50.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 151.77 39.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.04 119.15 5.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . . . -40.09 -30.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.38 84.19 17.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.23 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.53 126.27 2.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.32 123.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 ' CE1' ' A' ' 61' ' ' TYR . 36.9 mm -68.25 127.78 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.0 mp -93.63 -27.04 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.32 -169.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.843 ' CE1' HG21 ' A' ' 58' ' ' ILE . 15.2 m-85 -141.41 170.8 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.7 tt0 -134.74 131.89 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.657 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.37 111.58 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -107.76 132.12 53.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -127.61 139.0 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 1.4 ptm180 -161.66 154.57 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 98' ' ' TYR . 11.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.24 133.0 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.951 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mt -117.51 172.11 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.74 165.65 47.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 0.15 9.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -121.47 34.25 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.27 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -102.67 -23.94 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.849 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.3 pt20 -146.17 163.3 35.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' HD2' HD21 ' A' ' 80' ' ' LEU . 3.3 t80 -149.01 126.36 11.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -83.85 127.39 33.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.723 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.86 115.24 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.1 p -116.67 154.88 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.21 50.77 5.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 2.9 mt -117.32 154.4 31.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' OG ' ' A' ' 96' ' ' SER . 12.9 ttpt -85.09 129.52 55.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.0 Cg_endo -75.04 155.04 42.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 65.96 44.22 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.601 ' O ' HG22 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -141.47 -169.09 2.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 119' ' ' VAL . 66.0 t -134.98 103.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.723 ' CE1' HD21 ' A' ' 67' ' ' LEU . 18.0 m-85 -96.05 126.56 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -92.19 122.43 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.5 m-85 -101.95 113.16 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.4 ttp180 -102.68 111.79 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.504 HG22 ' CG ' ' A' ' 31' ' ' PRO . 37.3 mt -99.82 139.29 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.3 m -148.51 162.06 40.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -120.13 155.28 33.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.4 tt0 -121.08 126.33 49.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 p -121.96 -170.23 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -76.74 -2.21 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 mmmt -105.45 -43.6 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.1 -163.45 31.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.6 m95 -89.78 119.37 30.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.19 -152.35 7.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -52.92 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -142.73 128.9 19.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -91.61 118.91 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.568 ' CB ' HD21 ' A' ' 99' ' ' LEU . 5.4 mt-10 -97.68 126.43 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -133.38 122.3 23.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 97' ' ' VAL . 1.8 mt -91.47 139.2 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 36' ' ' PHE . 9.1 p -144.68 124.63 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 97' ' ' VAL . 6.7 t -86.27 146.99 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.7 p -96.87 117.31 30.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.365 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 4.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.25 18.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.88 -170.19 46.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.97 135.57 19.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -92.69 163.38 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 42.47 6.06 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.616 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -90.21 99.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.3 mm? -124.68 150.21 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -114.47 90.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.99 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ARG . 26.4 tt0 -112.32 116.89 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 36' ' ' PHE . 73.4 t -142.91 129.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' SER . 13.6 mmt-85 -128.18 -169.76 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -66.25 -60.52 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 92' ' ' LEU . 63.3 p -123.49 40.08 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.8 p -171.79 97.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -115.1 174.72 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ttm-85 -164.44 104.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -101.37 169.36 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.52 132.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' A' ' 102' ' ' ILE . 30.3 p90 -124.18 -176.83 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -140.97 162.96 45.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 149.92 37.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.05 120.03 5.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.73 -29.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.59 85.66 17.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.02 -34.6 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.13 42.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.0 150.31 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -78.5 106.54 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.716 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.91 116.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 19.9 mt -95.76 -25.87 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.933 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.36 -175.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.716 ' HE1' HG21 ' A' ' 58' ' ' ILE . 10.3 m-85 -134.46 175.15 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.6 tt0 -140.21 133.96 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -126.23 111.02 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -103.81 129.28 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -126.52 125.41 41.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -159.61 135.21 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.64 132.86 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.933 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -113.35 171.75 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 166.56 41.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.705 ' HB3' HG22 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.7 p -119.15 33.38 5.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.02 119.23 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.32 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.454 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -150.73 159.34 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.678 ' HD1' HD21 ' A' ' 80' ' ' LEU . 42.3 t80 -144.99 148.65 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.2 m -111.18 123.29 49.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.802 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.83 131.45 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.1 p -124.04 151.83 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.52 55.8 8.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -113.15 145.8 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.71 123.93 88.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.07 164.22 33.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 51.74 35.52 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -134.24 -172.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 119' ' ' VAL . 37.8 t -125.88 126.66 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.677 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.3 m-85 -116.89 127.02 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -94.29 111.59 23.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.5 m-85 -93.76 113.04 25.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.424 ' CD ' ' CG ' ' A' ' 115' ' ' GLU . 2.9 ttp85 -102.83 111.23 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 46' ' ' LEU . 24.6 mt -98.79 137.6 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.7 m -148.1 159.64 43.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -119.56 140.68 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -103.84 125.87 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 4.9 p -124.04 -168.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -73.56 -9.62 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -97.06 -37.01 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.72 -138.69 7.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 89.8 m95 -109.37 111.94 23.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.88 -150.14 4.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -52.25 166.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.29 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.61 117.37 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.652 ' HB3' HD21 ' A' ' 99' ' ' LEU . 12.5 mt-10 -97.9 124.48 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.98 124.76 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.1 mt -92.34 135.73 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.1 p -138.56 125.84 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -89.04 139.09 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 41' ' ' THR . 24.0 p -92.65 122.76 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 120' ' ' THR . 7.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.05 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.14 -171.11 24.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.02 133.51 16.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.597 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 107.66 2.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -89.21 161.17 16.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.48 43.55 5.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.0 mm -91.85 104.16 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.1 mm? -128.16 155.39 44.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 81.1 m-85 -118.83 93.15 45.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.0 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' ARG . 47.8 tt0 -117.36 111.17 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.4 118.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp180 -109.64 -163.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.1 p -67.54 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 92' ' ' LEU . 49.1 p -88.14 25.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.5 p -160.65 116.65 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -129.91 167.16 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.8 ttm-85 -151.38 105.24 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -106.15 169.59 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.04 154.57 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' HB3' HD13 ' A' ' 102' ' ' ILE . 35.8 p90 -144.34 179.96 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -136.79 162.65 54.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.04 150.06 37.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.03 120.35 6.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.75 -27.48 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.3 86.71 18.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.04 -31.79 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 18.0 p30 38.19 36.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.83 130.51 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 106' ' ' THR . 1.0 OUTLIER -57.28 133.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 61' ' ' TYR . 18.0 mm -80.87 130.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -98.68 -22.13 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.25 -171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.1 m-85 -140.29 167.38 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 31.7 tt0 -132.47 135.37 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -126.14 108.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 p -104.05 133.71 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -131.76 133.8 45.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LEU . 19.1 ptt85 -162.53 133.68 5.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.681 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.9 t -90.99 137.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.9 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -119.21 171.97 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.83 168.14 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -9.1 20.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -113.01 32.38 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.28 124.18 44.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -26.77 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.0 pt20 -144.73 161.95 37.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.69 ' HD1' HD21 ' A' ' 80' ' ' LEU . 28.6 t80 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.3 m -115.63 124.65 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.91 114.48 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -113.94 152.52 30.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.96 58.06 4.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' THR . 1.6 mt -118.73 153.51 34.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -83.48 125.04 74.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 120' ' ' THR . 18.4 Cg_endo -74.92 161.7 38.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 62.62 38.31 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -145.87 -175.93 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.073 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 119' ' ' VAL . 11.3 t -125.42 129.28 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.681 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.1 m-85 -114.6 128.06 56.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.723 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -90.13 110.6 21.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.599 ' N ' HD22 ' A' ' 99' ' ' LEU . 11.5 m-85 -93.93 112.76 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 4.9 ttp-105 -104.14 112.84 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 48' ' ' TRP . 35.0 mt -99.22 138.59 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.2 m -148.28 160.39 43.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.706 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.46 152.24 33.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.1 tt0 -114.19 123.97 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 57' ' ' ILE . 2.0 p -123.87 -168.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -78.88 1.7 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HB2' HG13 ' A' ' 27' ' ' VAL . 9.3 mmmt -108.49 -31.41 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.0 -135.32 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.4 m95 -114.27 112.83 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.27 -152.93 6.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -47.74 166.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -140.44 134.97 31.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -94.77 118.88 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.723 ' CG ' HD21 ' A' ' 99' ' ' LEU . 3.2 mt-10 -97.69 126.11 42.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -135.26 128.07 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.85 141.32 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 8.8 p -146.6 121.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.22 147.26 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 94' ' ' PRO . 20.8 p -98.6 116.66 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 119' ' ' VAL . 2.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.721 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.1 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.89 -167.7 30.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.16 17.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -87.76 160.37 18.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.69 45.06 5.01 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.9 mm -91.8 115.57 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.807 ' O ' HD13 ' A' ' 47' ' ' ILE . 91.0 mt -140.52 157.55 45.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 118' ' ' VAL . 94.0 m-85 -121.17 93.72 48.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.5 tt0 -117.92 111.26 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.14 114.07 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -101.47 -161.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -76.06 -81.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.456 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.1 p -87.28 23.05 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 72.2 m -165.64 128.64 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.678 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -137.44 168.72 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 38' ' ' GLU . 14.5 ttm180 -152.45 109.11 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.595 HD11 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -109.04 169.57 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -135.1 165.45 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 29.3 p90 -159.19 178.48 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -135.23 162.89 54.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.99 152.58 40.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.06 124.87 8.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.79 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.77 84.98 21.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 41.99 45.24 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.55 127.67 1.47 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.35 130.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.981 HG21 ' CE1' ' A' ' 61' ' ' TYR . 13.7 mm -78.33 129.59 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 179.0 -162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.981 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.2 m-85 -148.96 171.28 16.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 25.3 tt0 -138.07 132.98 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.726 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.59 107.63 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 100' ' ' PHE . 11.6 p -98.27 160.04 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -156.85 131.63 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -162.08 131.15 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.732 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -85.33 131.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mt -113.27 170.6 8.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.03 166.5 41.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -74.99 -1.55 11.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.02 35.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.87 126.97 51.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 -27.71 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 10.4 pt20 -142.56 162.06 36.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.709 ' HD1' HD21 ' A' ' 80' ' ' LEU . 43.4 t80 -142.53 150.62 40.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.6 m -107.9 124.97 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.21 118.4 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -118.41 154.23 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.71 58.35 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -119.83 164.1 16.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 6.1 ttmm -92.39 128.05 46.27 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.1 Cg_endo -74.99 161.99 37.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 58.2 43.72 20.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.546 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -150.52 167.95 25.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 119' ' ' VAL . 3.0 t -109.61 129.02 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.732 ' CE1' HD21 ' A' ' 67' ' ' LEU . 7.1 m-85 -114.73 123.87 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -86.01 109.64 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.532 ' CD2' HD22 ' A' ' 46' ' ' LEU . 10.8 m-85 -93.65 114.49 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp180 -105.85 113.47 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.595 HD11 HD11 ' A' ' 46' ' ' LEU . 22.7 mt -98.77 138.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.6 m -148.93 159.74 43.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -115.03 159.23 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.3 tt0 -120.34 125.51 48.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -123.86 -170.84 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -80.56 2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HB2' HG13 ' A' ' 27' ' ' VAL . 11.0 mmmt -111.52 -28.7 8.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 143.7 -144.54 13.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 85.8 m95 -108.59 118.48 36.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.95 -152.61 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.9 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -144.19 130.75 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.19 118.68 31.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 99' ' ' LEU . 5.3 mt-10 -95.94 127.21 41.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -135.55 127.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.9 136.79 34.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 36' ' ' PHE . 13.1 p -142.61 123.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 97' ' ' VAL . 2.8 t -80.57 148.81 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 p -95.03 106.83 18.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.584 HG22 HG12 ' A' ' 119' ' ' VAL . 3.6 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 6.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.01 -174.18 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.72 -176.38 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.95 138.66 23.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.07 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -90.04 161.87 15.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 45.36 4.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.173 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.3 mm -90.46 113.95 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 47' ' ' ILE . 76.5 mt -136.11 153.82 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -117.6 92.68 41.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 44.9 tt0 -113.15 115.9 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 36' ' ' PHE . 69.6 t -141.33 107.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.3 mtp180 -100.64 -166.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -70.52 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.5 p -95.83 30.9 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.9 p -167.79 123.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.898 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.8 m -131.6 168.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.4 ttm-85 -156.19 105.9 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -106.41 169.6 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.54 158.77 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.52 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 35.4 p90 -149.17 176.38 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -130.03 162.95 50.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 150.48 38.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.04 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.96 85.82 18.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 -33.21 4.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 23.3 p30 40.19 43.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.44 124.2 0.98 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 mp -53.07 121.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.815 HG21 ' CE1' ' A' ' 61' ' ' TYR . 14.7 mm -70.99 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 26.4 mt -104.88 -21.85 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.96 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.78 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.815 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.3 m-85 -142.57 172.85 12.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 10.5 tt0 -137.24 133.17 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.01 113.82 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 p -109.86 121.39 45.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -118.45 131.16 56.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.26 127.76 10.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -93.91 127.12 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.96 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.8 mt -107.64 170.53 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.77 166.93 41.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -2.84 13.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -119.04 34.47 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.21 124.41 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -108.17 -18.57 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.516 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 pt20 -150.2 165.72 32.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -151.04 131.8 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -92.41 134.38 35.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -113.12 115.37 28.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.8 p -116.8 156.72 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.01 53.27 4.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 42' ' ' THR . 2.3 mt -120.85 158.41 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.58 134.49 27.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 163.4 35.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 64.1 51.37 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.626 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.0 m -163.42 -174.47 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.6 ' HB ' HG22 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -135.72 147.72 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.639 ' CE1' HD21 ' A' ' 67' ' ' LEU . 62.1 m-85 -127.24 137.06 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -91.39 109.04 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.451 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 23.0 m-85 -94.05 112.25 24.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.9 ttp180 -105.89 113.6 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.557 HG22 ' HG3' ' A' ' 31' ' ' PRO . 17.7 mt -99.08 139.71 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 112' ' ' GLU . 4.3 m -148.28 160.15 43.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.6 156.24 26.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.9 tt0 -122.24 121.99 38.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.7 p -124.44 -167.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.67 -4.82 39.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -99.55 -40.09 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.63 -141.16 9.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 90.8 m95 -108.95 109.8 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.98 -152.43 6.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -50.95 165.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -140.07 139.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.529 ' CG ' HD21 ' A' ' 99' ' ' LEU . 9.8 mt-10 -100.14 123.17 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.549 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.83 130.83 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 97' ' ' VAL . 3.7 mt -99.29 148.46 24.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.588 HG11 ' CE1' ' A' ' 36' ' ' PHE . 5.0 p -149.46 129.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.6 HG22 ' HB ' ' A' ' 97' ' ' VAL . 25.4 t -90.35 147.21 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 8.5 p -100.33 117.28 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.6 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.04 169.25 23.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.93 -168.66 45.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.06 135.33 18.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.91 108.1 2.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -88.8 162.75 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 45.87 4.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.6 mm -92.12 120.82 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 47' ' ' ILE . 96.5 mt -144.59 150.22 37.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 83.8 m-85 -114.35 88.71 15.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.697 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -40.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.505 ' N ' HH21 ' A' ' 45' ' ' ARG . 27.6 tt0 -119.54 117.92 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 67.6 t -143.19 118.09 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.8 mmt180 -109.35 -167.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.6 OUTLIER -73.6 -77.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 94' ' ' PRO . 43.5 p -92.8 29.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ARG . 15.6 t -170.01 146.57 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -152.38 170.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.505 HH21 ' N ' ' A' ' 38' ' ' GLU . 9.0 ttp180 -155.62 113.99 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.03 170.49 7.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.697 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -140.28 127.38 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.662 ' HB3' HD13 ' A' ' 102' ' ' ILE . 24.5 p90 -117.94 -175.29 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -136.63 162.39 56.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 150.01 37.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 123.72 8.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.89 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -117.28 85.49 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER 41.1 42.87 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.14 132.52 1.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -60.6 112.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.825 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -57.68 136.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.2 mt -110.46 -23.19 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.1 -170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.825 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -142.38 171.46 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.6 tt0 -136.06 137.95 41.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -129.13 111.49 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -106.0 128.27 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -123.37 139.52 53.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -161.86 152.37 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.849 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.0 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -96.36 129.22 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.945 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 1.8 mt -110.33 172.28 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.27 167.88 31.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.92 -0.0 9.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -123.99 32.52 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.79 112.95 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.16 -23.41 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 2.9 mp0 -128.05 175.2 8.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.622 ' CD2' HG21 ' A' ' 63' ' ' ILE . 36.6 t80 -161.11 147.91 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -111.42 127.49 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.59 124.54 50.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.0 p -126.49 152.4 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.76 56.48 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -121.95 165.5 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.8 ttmm -99.41 131.74 24.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 158.57 42.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 65.39 46.15 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.4 m -153.26 -179.1 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 119' ' ' VAL . 4.6 t -123.09 138.82 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.849 ' CE1' HD21 ' A' ' 67' ' ' LEU . 19.9 m-85 -126.05 131.46 52.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.3 tm? -94.85 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.6 m-85 -100.33 112.74 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.486 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.7 ttp180 -102.59 112.61 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.844 HD11 HD11 ' A' ' 46' ' ' LEU . 17.7 mt -97.76 137.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.4 m -147.35 160.0 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.618 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.71 160.6 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.1 tt0 -124.28 119.5 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -123.15 -168.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.66 -17.99 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.549 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.7 mmmm -86.81 -41.82 13.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.28 -141.34 9.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 91.3 m95 -105.53 111.44 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -79.53 -151.19 6.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.63 163.49 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.74 138.7 39.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.79 121.42 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 125.54 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.558 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -137.58 123.63 20.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -90.24 148.09 23.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 6.3 p -149.79 128.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 97' ' ' VAL . 2.7 t -86.41 152.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 41' ' ' THR . 1.8 p -105.37 112.94 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.472 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB3' ' A' ' 108' ' ' LYS . 11.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.01 164.24 33.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.549 1.815 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -168.4 38.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.99 138.14 22.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.645 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 108.49 2.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -88.85 161.32 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 89.04 42.8 5.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.645 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.0 mm -88.8 97.43 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.8 mm? -121.38 151.34 40.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.2 m-85 -115.36 91.96 30.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.598 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.97 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -113.88 116.53 29.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 36' ' ' PHE . 59.7 t -140.34 108.9 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' SER . 12.3 mtp180 -99.1 -168.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -74.72 -76.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 p -89.58 25.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 2.9 m -168.45 148.09 4.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -150.54 172.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.9 ttm180 -158.27 107.69 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -107.24 169.62 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.7 147.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.582 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.9 p90 -137.31 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -131.75 162.61 55.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 152.51 40.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.09 -30.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.29 84.45 17.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.92 2.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 45.85 44.67 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.61 137.69 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.59 128.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.787 HG21 ' CE1' ' A' ' 61' ' ' TYR . 39.0 mm -72.54 126.16 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 3.7 mp -93.43 -27.18 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.2 -170.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.787 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.9 m-85 -138.93 169.57 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.5 tp-100 -132.75 129.1 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -125.81 114.18 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 128.02 56.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -118.24 123.33 45.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.606 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -137.63 143.63 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.733 HD21 ' CE1' ' A' ' 98' ' ' TYR . 6.9 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.01 144.14 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.952 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mt -123.11 172.21 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -83.25 166.85 32.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 0.25 9.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 30.47 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CZ2' ' A' ' 48' ' ' TRP . . . -106.26 105.38 15.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -14.79 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -147.24 179.68 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.585 ' HD1' HD21 ' A' ' 80' ' ' LEU . 23.6 t80 -158.49 151.66 22.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -111.47 129.22 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.77 119.26 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 p -123.54 154.85 38.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 56.83 3.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.9 mt -123.93 169.32 11.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -101.15 136.34 19.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.01 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.08 52.69 14.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 92.5 p -153.71 -171.24 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.623 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -137.12 135.7 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.733 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.5 m-85 -123.49 129.84 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.555 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.5 tm? -89.11 116.64 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 46' ' ' LEU . 19.4 m-85 -99.42 111.88 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.485 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.7 ttp180 -102.11 109.16 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.633 HD11 HD11 ' A' ' 46' ' ' LEU . 39.0 mt -97.59 136.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.9 m -148.35 163.14 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -116.69 155.34 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.2 tt0 -119.62 122.58 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.7 -167.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -0.27 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB3' HG13 ' A' ' 27' ' ' VAL . 1.3 mppt? -101.54 -46.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.69 -119.76 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.6 m95 -128.31 111.39 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -74.98 -156.23 5.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.84 173.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -146.51 131.52 18.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.58 119.76 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.552 ' HB3' HD21 ' A' ' 99' ' ' LEU . 14.8 mt-10 -100.73 122.94 44.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -135.14 122.16 21.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -92.8 135.77 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 2.9 p -133.53 122.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 96' ' ' SER . 13.7 t -81.46 145.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 69.9 p -94.26 117.17 29.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 2.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.0 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.808 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.43 -167.12 41.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.31 21.59 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.95 107.56 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -90.33 167.71 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.29 48.21 5.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 116' ' ' ALA . 9.4 mm -93.53 114.24 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 47' ' ' ILE . 89.2 mt -134.29 151.31 51.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 69.3 m-85 -114.98 92.14 29.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -75.0 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.7 tt0 -113.94 115.97 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG11 ' CG2' ' A' ' 118' ' ' VAL . 61.1 t -140.62 116.58 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' SER . 1.1 mtp-105 -110.56 -165.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -72.16 -82.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.6 p -90.28 26.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.2 m -164.08 135.88 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.4 m -144.58 170.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.4 ttm180 -157.94 108.23 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -107.83 169.53 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.21 142.05 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.595 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.5 p90 -131.25 178.89 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -133.3 161.49 63.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 153.42 41.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.02 121.38 6.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.45 -29.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.76 84.92 16.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.66 3.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER 40.08 41.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.75 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -62.18 108.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.809 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -53.76 131.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.9 mt -105.43 -22.69 12.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.45 -170.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.809 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.1 m-85 -141.17 173.1 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 16.5 tt0 -135.69 134.05 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.733 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.23 121.19 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 p -117.02 133.85 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -117.27 130.77 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -155.57 134.54 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.771 HD21 ' CE1' ' A' ' 98' ' ' TYR . 12.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.8 t -94.2 130.72 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.973 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -113.13 172.61 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 167.03 38.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 p -121.52 34.02 5.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.19 114.47 28.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.2 mmm180 -97.87 -22.65 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.484 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.7 pt20 -144.27 163.73 32.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 2.9 t80 -147.13 138.69 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.8 m -93.87 129.49 40.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.908 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.56 115.15 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -119.88 164.67 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.47 51.31 12.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 1.2 mt -119.47 159.3 24.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.66 133.51 29.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.26 35.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 63.68 43.03 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.584 ' HB3' HD22 ' A' ' 67' ' ' LEU . 13.3 m -155.67 179.08 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.599 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -123.14 137.24 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.771 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.6 m-85 -122.68 122.07 37.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -79.11 141.02 37.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.9 m-85 -120.49 110.08 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.483 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 2.1 ttp180 -99.15 107.9 20.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 48' ' ' TRP . 22.8 mt -98.33 137.98 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.8 m -148.34 159.46 43.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.95 156.0 27.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 4.5 tt0 -120.56 124.04 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 58' ' ' ILE . 7.2 p -123.81 -168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.01 -8.57 56.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.65 -45.57 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.53 -145.16 12.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.1 m95 -105.5 120.25 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.68 -157.58 27.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 103' ' ' THR . 1.6 tt0 -48.36 171.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.94 133.97 30.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.07 117.94 30.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 99' ' ' LEU . 22.7 mt-10 -96.65 121.18 38.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -130.17 123.12 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.535 ' HG ' HD12 ' A' ' 99' ' ' LEU . 1.2 mt -93.61 146.51 23.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 p -147.66 127.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 96' ' ' SER . 9.3 t -87.57 144.32 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.424 ' O ' ' HB ' ' A' ' 121' ' ' THR . 11.8 p -100.82 116.3 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.1 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.72 -168.58 26.39 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.575 1.172 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.04 134.8 18.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.633 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -87.87 160.58 17.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.65 40.4 5.01 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.7 mm -86.73 121.68 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.641 ' HB2' HD11 ' A' ' 47' ' ' ILE . 81.6 mt -147.43 149.65 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.3 m-85 -113.84 91.41 21.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.98 -49.7 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 35.5 tt0 -113.35 117.65 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 36' ' ' PHE . 53.7 t -140.94 125.91 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.4 mtp180 -120.47 -168.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -70.69 -81.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.1 p -89.89 28.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.0 t -167.12 144.25 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.0 m -151.97 171.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -157.09 116.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -114.69 169.64 8.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.8 136.78 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.663 ' HB3' HD13 ' A' ' 102' ' ' ILE . 25.0 p90 -128.32 -172.42 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -142.88 162.18 45.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.95 152.45 41.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.0 124.98 9.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 -29.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.26 85.71 16.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 39.99 42.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.55 128.33 1.03 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.77 111.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.763 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.893 HG21 ' CE1' ' A' ' 61' ' ' TYR . 47.5 mm -57.35 134.01 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 27.2 mt -106.28 -23.42 12.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.923 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.39 -170.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.893 ' CE1' HG21 ' A' ' 58' ' ' ILE . 32.2 m-85 -143.56 173.97 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 10.5 tt0 -138.11 133.85 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.641 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.75 108.18 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 100' ' ' PHE . 17.0 p -99.19 163.88 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -157.57 134.37 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -161.2 132.38 5.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.77 130.05 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.923 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.0 mt -109.68 171.82 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 168.75 24.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -6.8 18.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.11 36.24 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.8 127.03 48.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -24.91 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 8.3 pt20 -145.82 164.58 31.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.746 ' HD2' HD21 ' A' ' 80' ' ' LEU . 33.8 t80 -146.0 125.1 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.2 m -90.27 128.45 36.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.724 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.36 140.52 37.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -140.98 141.87 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 81.18 55.17 3.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 89' ' ' ALA . 4.3 mt -114.83 173.81 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -97.86 130.02 29.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.97 175.19 11.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 44.67 45.5 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -153.7 165.62 35.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.7 OUTLIER -112.65 138.27 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.695 ' CE1' HD21 ' A' ' 67' ' ' LEU . 6.6 m-85 -121.43 120.14 34.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -79.5 107.71 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 64' ' ' THR . 15.7 m-85 -92.11 112.31 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.461 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 4.3 ttt-85 -104.06 113.05 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 46' ' ' LEU . 18.8 mt -97.89 136.73 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -147.8 157.07 43.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.21 156.37 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 tt0 -119.25 123.71 44.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 3.6 p -123.91 -168.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -1.83 36.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -102.63 -36.04 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.0 -139.68 8.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.7 m95 -112.15 110.84 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.05 -152.73 5.94 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.8 164.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . . . -139.34 137.48 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.1 121.4 32.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.696 ' CG ' HD21 ' A' ' 99' ' ' LEU . 4.7 mt-10 -100.47 123.56 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.98 125.47 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 1.6 mt -93.57 144.75 25.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.0 p -145.89 125.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' SER . 7.4 t -84.55 142.8 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 p -97.77 114.54 26.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.464 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.564 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.05 169.05 23.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.39 48.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.0 138.02 22.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -92.81 160.83 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 87.95 42.28 6.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.656 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -87.74 101.77 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.2 mm? -127.92 160.97 30.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.753 ' CE2' HG11 ' A' ' 118' ' ' VAL . 78.3 m-85 -123.26 93.36 48.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.9 tt0 -119.53 112.03 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.8 118.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . 22.4 mtp180 -107.48 -163.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -69.77 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 92' ' ' LEU . 18.9 p -87.76 25.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.5 p -163.3 117.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -128.43 165.74 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.1 ttm180 -149.87 109.31 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.648 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -112.29 168.86 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.73 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -132.84 171.54 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 36.3 p90 -161.95 176.88 10.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -133.15 161.65 62.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -74.98 152.61 41.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.58 85.44 16.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -34.34 3.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER 40.04 45.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.64 132.46 1.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -63.23 107.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.751 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -51.95 134.47 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 32.9 mt -109.79 -24.14 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.91 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.39 -170.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.751 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.6 m-85 -143.01 174.3 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 18.2 tt0 -140.47 139.68 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.802 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -131.18 114.9 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -108.15 128.4 54.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -125.04 134.3 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.77 144.13 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -96.69 130.36 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.91 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.08 172.76 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -80.71 168.17 27.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.07 -4.59 15.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 m -116.95 34.12 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.72 126.98 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -25.76 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.694 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.9 pt20 -146.06 157.37 43.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.691 ' CD2' HG21 ' A' ' 63' ' ' ILE . 22.1 t80 -139.77 125.88 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.9 m -89.03 129.28 35.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.37 154.0 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 89' ' ' ALA . 33.1 p -155.71 152.89 29.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.16 64.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.02 159.48 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 18.9 ttmt -92.71 132.79 30.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.94 154.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 67.12 43.86 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.6 m -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 119' ' ' VAL . 2.6 t -127.29 134.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.735 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.7 m-85 -122.73 139.3 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.1 tm? -95.62 117.6 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.482 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 18.4 m-85 -100.03 112.24 24.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.3 ttp180 -104.29 112.25 25.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.462 HD11 HD11 ' A' ' 46' ' ' LEU . 22.8 mt -98.38 137.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.6 m -147.52 157.45 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.42 162.1 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 52.3 tt0 -124.04 118.69 27.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -123.67 -169.02 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.29 -17.27 59.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.7 mmmm -86.19 -35.11 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.2 -137.19 7.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 104' ' ' ALA . 94.2 m95 -110.99 111.15 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -75.87 -159.51 8.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 103' ' ' THR . 1.0 OUTLIER -47.38 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -141.08 133.2 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.82 122.39 33.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 99' ' ' LEU . 7.7 mt-10 -101.06 124.14 46.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.18 133.43 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD22 HG12 ' A' ' 97' ' ' VAL . 3.7 mt -98.27 148.14 23.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.2 p -152.07 121.23 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -80.32 153.25 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 41' ' ' THR . 11.4 p -104.17 114.69 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.81 -166.41 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.01 133.66 16.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CG ' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 108.66 2.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -92.17 163.95 13.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.08 50.87 3.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.699 HG21 ' HB2' ' A' ' 116' ' ' ALA . 6.5 mm -96.99 104.27 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 47' ' ' ILE . 81.0 mt -122.76 149.8 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 70.8 m-85 -113.65 92.71 25.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.97 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -119.69 117.75 29.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 118' ' ' VAL . 50.1 t -139.53 117.23 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.6 mtp180 -109.03 -164.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -72.21 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.596 HG22 ' HD3' ' A' ' 94' ' ' PRO . 68.8 p -82.03 8.92 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 29.5 m -144.4 142.73 30.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.3 m -150.31 170.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -157.33 117.82 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -117.84 169.39 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.11 132.22 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.612 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.24 -178.72 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -136.09 162.34 57.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.04 152.16 40.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.94 122.41 7.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.2 -27.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.69 84.76 15.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 40.03 42.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.39 127.14 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.35 134.83 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 0.8 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.861 HG21 ' CE1' ' A' ' 61' ' ' TYR . 8.1 mm -83.76 126.47 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -95.36 -19.91 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.866 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 171.61 -172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.861 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.1 m-85 -139.05 174.21 10.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.8 tt0 -138.63 132.32 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.01 106.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 101' ' ' ARG . 7.1 p -101.08 124.11 46.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -114.59 140.37 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -161.67 154.57 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.883 HD21 ' CE1' ' A' ' 98' ' ' TYR . 8.6 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.05 130.86 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.866 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.35 172.48 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 166.65 39.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -2.93 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -118.86 33.08 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.62 121.87 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -108.4 -5.97 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.475 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 12.6 pt20 -154.52 170.39 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' HD1' HD21 ' A' ' 80' ' ' LEU . 31.1 t80 -156.29 146.78 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.2 m -103.45 130.03 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.913 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.51 124.57 52.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 p -133.14 152.65 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.99 44.19 6.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -110.73 176.11 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.478 ' NZ ' ' HB3' ' A' ' 96' ' ' SER . 0.0 OUTLIER -109.84 134.79 20.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.96 149.84 37.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' PRO . 2.2 mt-10 69.57 55.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 67' ' ' LEU . 21.8 p -152.15 -170.55 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 119' ' ' VAL . 84.4 t -136.55 102.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.883 ' CE1' HD21 ' A' ' 67' ' ' LEU . 35.1 m-85 -96.61 140.02 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -107.99 131.58 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HE2' HG11 ' A' ' 118' ' ' VAL . 21.8 m-85 -110.5 113.49 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -97.69 109.71 22.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.7 mt -97.02 135.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.1 m -148.29 152.0 36.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -106.84 154.78 20.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.7 tt0 -114.8 124.31 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -122.65 -178.1 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.31 -6.44 43.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HB2' HG13 ' A' ' 27' ' ' VAL . 17.8 mmmt -99.01 -40.31 8.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 153.35 -147.23 16.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 90.0 m95 -105.41 119.69 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.54 -156.66 22.96 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -47.76 167.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.46 125.95 20.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.27 120.66 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.72 ' CB ' HD21 ' A' ' 99' ' ' LEU . 26.7 mt-10 -97.12 128.65 44.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.699 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.3 121.36 23.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.1 mt -93.82 142.65 27.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.613 HG11 ' HE2' ' A' ' 100' ' ' PHE . 9.1 p -148.35 124.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 97' ' ' VAL . 5.0 t -80.78 151.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' THR . 40.2 p -96.39 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.467 HG22 HG12 ' A' ' 119' ' ' VAL . 2.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.91 168.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.28 170.39 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.94 -178.97 20.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -175.97 169.98 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.21 157.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.65 -166.15 15.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.66 153.56 47.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.33 170.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.06 163.42 14.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 177.23 166.03 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.32 131.56 1.4 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.26 91.11 0.29 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.031 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.9 15.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -161.07 -179.42 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.29 145.32 20.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.03 144.85 30.64 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.563 1.823 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.05 137.18 21.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.72 HG22 ' H ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -85.84 -179.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.72 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.9 OUTLIER 58.37 56.4 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.74 85.33 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 1.4 ptp180 -88.03 118.2 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.66 -52.05 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 172.49 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -100.37 159.97 14.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -178.04 147.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.3 m -56.55 160.52 5.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.25 -166.8 31.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.1 17.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.683 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -88.58 160.66 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.62 44.79 4.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.826 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.5 mm -92.69 103.98 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.826 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -128.38 150.96 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 118' ' ' VAL . 67.7 m-85 -114.04 91.42 22.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.9 tt0 -113.11 114.54 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.572 HG11 ' CG2' ' A' ' 118' ' ' VAL . 65.4 t -141.4 114.73 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 43' ' ' SER . 8.8 mtp180 -108.34 -163.76 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.46 -77.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.0 p -101.92 34.06 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 2.9 p -168.95 113.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -125.0 169.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.1 ttm-85 -156.94 106.14 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD11 HD11 ' A' ' 102' ' ' ILE . 1.2 pt? -105.25 170.44 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.88 140.2 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.654 ' HB3' HD13 ' A' ' 102' ' ' ILE . 28.1 p90 -131.93 179.09 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -135.92 160.29 67.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.05 153.3 41.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.99 119.36 5.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.2 -28.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.43 85.44 16.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.75 2.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER 42.29 44.46 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.7 134.26 2.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.2 128.32 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.917 HG21 ' CE1' ' A' ' 61' ' ' TYR . 26.8 mm -74.93 129.53 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.6 mp -96.95 -25.15 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.882 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.917 ' CE1' HG21 ' A' ' 58' ' ' ILE . 27.0 m-85 -137.15 174.14 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 16.9 tt0 -141.32 134.41 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.91 104.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.844 HG22 ' HB ' ' A' ' 77' ' ' VAL . 21.5 p -90.65 123.19 34.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -118.69 127.79 53.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 5.0 ptt180 -155.1 160.87 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 70' ' ' THR . 5.5 mt -83.58 120.51 26.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -55.2 -32.64 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' THR . 49.6 p -134.68 102.16 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.733 HG21 ' HB2' ' A' ' 67' ' ' LEU . 7.4 t -176.46 -163.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.708 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -130.12 156.29 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.445 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 71' ' ' THR . . . 162.2 -168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -100.47 -52.28 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 p -149.13 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -117.07 129.03 55.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 m -75.15 95.28 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.844 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -84.7 146.18 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -119.22 136.74 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.81 128.99 46.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.882 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mt -107.45 172.66 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.58 168.62 26.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -4.25 15.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -118.96 33.41 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.44 121.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.03 -22.44 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.523 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -126.52 172.09 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.661 ' HD1' HD21 ' A' ' 80' ' ' LEU . 47.9 t80 -160.42 159.58 31.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.9 m -121.46 130.61 53.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.9 114.95 28.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -116.2 152.07 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 55.18 3.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 42' ' ' THR . 2.7 mt -121.46 141.89 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.66 129.32 83.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.2 39.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.76 48.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 75.1 m -157.4 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 119' ' ' VAL . 11.6 t -127.89 139.34 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.5 m-85 -124.44 136.63 54.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.6 tm? -97.4 119.59 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.489 ' N ' HD22 ' A' ' 99' ' ' LEU . 18.0 m-85 -104.14 112.18 25.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp85 -104.18 112.57 25.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 48' ' ' TRP . 18.8 mt -97.75 136.06 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -146.56 161.44 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -117.67 157.26 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 10.2 tt0 -119.95 125.54 48.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -123.6 -168.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -13.03 60.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.787 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.8 mmmt -95.74 -34.9 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.63 -144.11 12.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 73.9 m95 -105.36 122.54 46.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.3 -153.75 25.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -48.9 161.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.84 135.03 39.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.8 mt-10 -99.59 125.5 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -136.03 127.24 28.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.443 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.3 mt -92.59 150.38 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.572 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.3 p -152.62 130.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -89.88 154.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 121' ' ' THR . 7.9 p -107.69 113.82 27.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t -177.12 170.52 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -92.13 -28.66 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.48 116.61 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 134.36 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.96 134.72 25.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.46 103.6 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.73 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.62 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.77 151.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.19 163.31 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.46 169.85 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.934 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.27 128.19 1.33 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -170.83 134.74 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -172.09 145.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.57 -116.23 3.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.52 146.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mt -65.81 103.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.68 110.08 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.7 140.26 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.76 108.58 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -156.71 77.84 4.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.36 87.84 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -149.57 159.72 35.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 163.6 35.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HG3' ' HB1' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.05 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.24 143.61 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.25 67.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -104.58 157.83 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 50.31 98.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -75.51 -62.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -48.11 147.33 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 161.36 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.27 154.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 108' ' ' LYS . 6.5 m -40.58 158.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.75 19.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -165.89 41.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.34 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.95 108.26 2.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -91.63 162.12 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 38.45 5.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.3 mm -87.03 111.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 47' ' ' ILE . 68.3 mt -134.53 149.87 50.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 77.4 m-85 -113.65 91.91 22.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.586 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -115.92 116.5 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 36' ' ' PHE . 54.6 t -140.48 124.57 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 mtp180 -119.12 -164.51 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.42 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 92' ' ' LEU . 67.2 p -88.22 20.2 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -155.44 137.97 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.2 m -147.62 174.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.6 ttm-85 -161.37 108.74 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.92 169.88 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.54 140.44 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.605 ' HB3' HD13 ' A' ' 102' ' ' ILE . 27.5 p90 -131.56 -179.59 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -136.76 162.18 57.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.92 152.76 41.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.05 123.03 7.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB1' ' HG3' ' A' ' 18' ' ' PRO . . . -43.21 -30.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.57 84.68 15.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.76 3.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER 41.25 40.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.37 130.07 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -61.17 111.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.928 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -58.34 130.39 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.0 mt -102.47 -23.52 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.62 -170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.928 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -143.19 172.89 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.0 tt0 -138.4 139.42 38.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.878 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -132.05 116.99 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 77' ' ' VAL . 53.1 p -113.23 129.92 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -125.31 129.99 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.606 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 10.6 ptt85 -162.01 138.43 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -38.58 130.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.628 ' C ' HG22 ' A' ' 69' ' ' THR . 58.2 t30 -64.89 -10.38 28.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.628 HG22 ' C ' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -176.08 108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.662 HG23 ' N ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -175.71 -171.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.662 ' N ' HG23 ' A' ' 70' ' ' THR . 74.3 p -115.95 106.7 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.8 -168.65 2.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.81 -57.2 2.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -156.02 168.92 25.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -96.41 151.64 19.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.6 m -89.35 101.89 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 64' ' ' THR . 70.5 t -85.73 133.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.8 tt0 -129.09 135.44 48.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -97.22 131.74 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.3 mt -111.46 172.26 6.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.54 168.27 28.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.06 -5.93 17.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.85 32.57 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.15 117.0 33.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.35 -22.44 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -142.94 167.31 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.1 t80 -148.9 149.85 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 m -107.18 122.91 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.07 114.72 29.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -116.31 158.59 23.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 63.76 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -125.01 161.47 26.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.6 ttmt -90.13 125.95 58.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -75.05 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 59.68 45.04 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.27 -177.19 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 119' ' ' VAL . 23.6 t -122.87 127.77 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.686 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.7 m-85 -116.35 131.14 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -96.58 122.21 39.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.2 m-85 -102.35 112.85 25.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.2 ttp180 -101.4 109.01 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.701 HD11 HD11 ' A' ' 46' ' ' LEU . 23.8 mt -97.15 137.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.5 m -148.33 155.8 41.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -112.43 156.65 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 2.0 tt0 -117.21 126.11 52.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 p -123.96 -168.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.5 -14.08 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.3 mmmm -92.92 -37.03 12.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.54 -137.3 6.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 83.5 m95 -110.66 115.81 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.431 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.26 -144.33 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -61.22 169.23 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.96 133.13 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.31 121.75 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' A' ' 99' ' ' LEU . 51.9 mt-10 -97.47 127.35 43.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.66 120.0 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.6 mt -88.65 142.11 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.553 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 p -146.46 125.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -84.91 145.77 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -98.23 115.37 28.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.9 t -177.0 170.91 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.8 -30.17 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 164.95 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 57.13 108.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -155.86 114.13 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.49 164.83 12.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.8 m 51.58 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.2 p -103.07 167.96 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p 179.09 167.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -175.21 162.47 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.15 -179.85 30.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -161.86 166.58 26.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -162.23 170.61 18.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.9 -179.31 23.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -173.45 131.33 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.1 mt -116.54 152.45 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.33 72.7 0.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.98 149.18 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.9 118.38 3.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.8 p -159.46 91.61 1.87 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.91 9.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.19 154.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 9.5 p-80 -174.18 145.29 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.618 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.03 142.98 28.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.777 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.34 41.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 80.9 mt -95.86 134.04 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.84 110.28 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.89 73.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 42.24 84.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -82.18 -53.73 5.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 ' H ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -105.84 151.25 24.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.549 ' H ' HD13 ' A' ' 24' ' ' LEU . 28.0 m-20 -109.87 139.53 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 152.76 17.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.9 m -43.4 159.49 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.01 163.98 34.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.61 -173.43 42.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 139.98 24.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.93 110.86 3.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -92.76 161.79 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 49.88 3.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.598 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mm -94.51 120.13 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 47' ' ' ILE . 62.7 mt -142.6 151.72 41.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG11 ' A' ' 118' ' ' VAL . 76.6 m-85 -114.91 91.45 26.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.01 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ARG . 21.8 tt0 -113.82 117.89 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 ' CG1' ' A' ' 44' ' ' VAL . 69.1 t -140.71 119.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.1 mmt180 -106.7 -165.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -78.54 -74.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.424 HG22 ' HD3' ' A' ' 94' ' ' PRO . 72.6 p -90.21 29.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 t -175.67 153.89 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.946 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.2 m -152.2 175.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.7 ttm-85 -155.74 104.03 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -104.81 170.45 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.24 150.36 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 102' ' ' ILE . 33.3 p90 -140.14 -176.09 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.51 161.64 57.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 151.56 39.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.04 124.12 8.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.83 -28.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.6 85.7 17.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.8 3.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.49 44.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.58 134.95 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.92 111.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.92 136.83 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 20.4 mt -110.58 -23.9 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.51 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.742 ' CE1' HG21 ' A' ' 58' ' ' ILE . 26.6 m-85 -141.88 168.99 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.577 ' OE1' HG21 ' A' ' 77' ' ' VAL . 7.1 tt0 -131.87 132.52 43.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.616 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.89 105.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.841 HG22 ' HB ' ' A' ' 77' ' ' VAL . 17.2 p -99.37 121.17 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -116.6 139.17 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 28.5 ptt180 -160.31 153.43 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.785 ' HB2' HG21 ' A' ' 70' ' ' THR . 5.5 mt -77.91 109.51 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -39.73 -36.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.426 ' O ' ' HB ' ' A' ' 70' ' ' THR . 23.2 p -136.98 110.74 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.785 HG21 ' HB2' ' A' ' 67' ' ' LEU . 8.9 t -175.85 -164.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 70' ' ' THR . 76.2 p -152.53 97.74 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.34 -172.95 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -69.43 -48.42 61.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.608 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -179.95 177.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' N ' HG23 ' A' ' 74' ' ' THR . . . -87.76 132.56 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -91.98 99.91 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.841 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -84.72 146.6 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.09 130.59 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -109.77 171.35 7.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.16 168.7 25.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -7.29 18.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -115.44 34.41 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.77 120.12 39.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -13.56 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.504 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.3 pt20 -154.15 165.12 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HD1' HD21 ' A' ' 80' ' ' LEU . 62.6 t80 -143.8 152.81 41.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.8 m -115.1 129.0 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.27 140.1 38.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -144.34 136.2 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.92 49.14 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mt -114.87 166.17 12.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 5.3 ttmm -92.84 127.57 47.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.528 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.95 156.75 43.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.07 56.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 69.7 m -164.33 -175.34 3.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 119' ' ' VAL . 8.3 t -123.36 138.78 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.599 ' CE1' HD21 ' A' ' 67' ' ' LEU . 21.9 m-85 -126.53 133.71 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.5 tm? -95.46 121.12 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.634 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 30.7 m-85 -107.37 112.72 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.2 ttp85 -103.71 114.69 29.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 48' ' ' TRP . 26.5 mt -97.79 139.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.6 m -147.9 160.25 42.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.3 160.35 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -124.26 120.45 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.46 -168.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 3.9 ptm180 -78.21 2.6 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.3 mppt? -102.97 -46.29 4.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.7 -121.4 1.05 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.8 m95 -128.82 109.27 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -73.73 -163.77 9.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.23 164.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.54 137.74 42.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.7 120.78 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 9.6 mt-10 -97.1 124.32 41.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.598 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.04 123.51 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.474 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.1 mt -91.4 154.34 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.739 HG11 ' CE1' ' A' ' 36' ' ' PHE . 4.7 p -156.53 125.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -81.98 147.7 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 121' ' ' THR . 4.4 p -101.49 112.65 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 120' ' ' THR . 8.4 t -175.81 167.14 3.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.3 -44.19 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -58.56 149.93 24.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.24 137.61 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.25 148.8 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.61 72.6 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.19 5.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.0 t -104.46 159.29 15.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.56 105.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.058 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -176.8 94.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.96 154.18 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.97 103.05 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -167.16 135.12 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.92 92.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.91 -167.99 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -107.87 141.7 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -86.95 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.19 174.11 21.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.19 150.34 39.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.07 -131.43 4.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.57 95.85 48.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.048 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 p -129.35 143.44 50.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 33.1 p80 -78.15 129.4 75.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.74 28.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.81 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -73.6 139.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.84 110.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -148.38 161.94 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -129.95 159.28 37.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -86.7 -33.79 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.464 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 135.26 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' ASP . 38.6 m-20 -89.75 148.88 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 3.0 p30 162.36 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.0 m -40.3 159.62 0.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.98 175.5 11.15 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.1 -167.85 40.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.02 136.33 20.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.97 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -89.76 163.15 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.63 45.17 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.8 mm -92.32 117.11 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.803 ' O ' HD13 ' A' ' 47' ' ' ILE . 94.8 mt -142.27 155.15 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.635 ' CE2' HG11 ' A' ' 118' ' ' VAL . 84.1 m-85 -118.1 93.5 44.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.599 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ARG . 48.1 tt0 -119.83 109.59 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -138.74 113.69 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp85 -102.99 -162.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -71.48 -86.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 92' ' ' LEU . 59.2 p -87.45 24.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.435 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.1 p -162.42 114.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -125.99 163.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.2 ttm-85 -149.67 113.55 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -114.04 169.74 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.08 160.04 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 33.6 p90 -149.62 178.72 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -134.35 162.34 58.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.07 150.81 38.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -74.99 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.47 -28.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.04 85.48 18.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 43.01 46.17 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.53 129.24 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.19 113.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.839 HG21 ' CE1' ' A' ' 61' ' ' TYR . 45.0 mm -58.7 134.0 23.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 31.5 mt -108.03 -23.14 12.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.891 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -171.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.839 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.5 m-85 -142.35 174.1 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' CD ' ' CG1' ' A' ' 77' ' ' VAL . 27.6 tt0 -138.45 133.76 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.16 106.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -102.17 120.84 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 136.57 54.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 11.9 ptt180 -161.97 144.21 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.81 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.8 mt -59.23 113.99 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 50.9 t-20 -39.25 -30.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 70' ' ' THR . 21.3 p -134.33 108.68 8.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -165.54 -171.67 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.0 p -147.74 100.5 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.76 -174.75 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -77.61 -45.16 25.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -166.29 169.29 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' N ' HG23 ' A' ' 74' ' ' THR . . . -86.22 155.8 20.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 m -81.71 96.7 7.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 53.2 t -86.48 132.82 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -127.65 135.73 50.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -96.59 127.96 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.891 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -105.91 171.05 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.01 168.62 26.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 -9.25 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 p -112.55 33.95 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -112.38 -23.47 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 5.6 pt20 -149.72 168.81 22.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' HD2' HD21 ' A' ' 80' ' ' LEU . 23.9 t80 -151.17 137.14 18.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.6 m -101.93 125.36 48.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.09 123.77 45.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.3 p -122.79 156.52 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.52 63.08 2.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -128.11 171.41 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -102.77 130.17 24.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.7 39.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.51 43.31 3.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 67' ' ' LEU . 20.0 m -149.65 -177.2 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 119' ' ' VAL . 9.8 t -126.26 138.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.81 ' CE2' HD21 ' A' ' 67' ' ' LEU . 35.8 m-85 -126.48 128.42 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -92.2 116.3 28.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 25.8 m-85 -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.509 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.9 ttt180 -103.55 112.08 24.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 48' ' ' TRP . 29.4 mt -97.98 138.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' GLU . 10.7 m -148.55 157.7 43.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.25 158.3 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.3 tt0 -122.42 122.93 40.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 p -123.61 -167.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.76 -17.65 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.592 ' HB2' HG13 ' A' ' 27' ' ' VAL . 12.7 mmmm -87.19 -43.21 12.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 152.65 -135.14 4.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 88.0 m95 -112.03 117.05 31.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.38 -152.0 7.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -54.85 163.68 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -134.95 135.65 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.9 122.14 37.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.678 ' HB3' HD21 ' A' ' 99' ' ' LEU . 24.7 mt-10 -99.63 124.33 44.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.44 122.11 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.7 mt -91.23 144.87 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.3 p -148.74 126.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -85.86 149.91 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 41' ' ' THR . 6.0 p -99.47 112.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.47 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t -177.16 171.32 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.54 -20.69 18.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -82.8 124.49 30.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -140.61 137.87 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.4 m -115.74 -49.75 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 110.48 114.77 3.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.4 m -98.69 -62.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 t -139.97 151.89 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.043 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 p -112.85 107.1 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -76.97 109.99 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.951 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.13 -109.4 3.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 m 40.14 88.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -58.89 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.48 -128.86 47.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.09 93.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm -103.27 140.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.03 170.29 53.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -155.21 137.85 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.13 147.07 16.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.4 p -121.7 128.51 25.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 57.04 4.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 p -176.97 150.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 11.3 m80 -100.26 140.67 21.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.6 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.97 172.82 15.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ILE . 18.1 Cg_endo -75.04 166.31 29.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' PRO . 34.3 mt 61.5 144.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.22 75.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.92 161.61 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.61 76.51 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -68.57 -48.96 62.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.41 151.79 37.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.61 124.26 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.15 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 108' ' ' LYS . 10.9 m -41.99 159.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.92 179.68 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.74 -171.47 34.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 137.36 21.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.05 110.74 3.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -90.67 160.97 15.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 50.83 3.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 116' ' ' ALA . 7.5 mm -95.25 123.75 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 47' ' ' ILE . 96.6 mt -147.61 151.33 36.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 118' ' ' VAL . 79.3 m-85 -114.77 91.42 25.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.582 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ARG . 23.9 tt0 -113.6 117.64 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG13 ' CG1' ' A' ' 44' ' ' VAL . 63.4 t -141.27 123.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 mmt85 -114.4 -169.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -70.72 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 94' ' ' PRO . 75.7 p -89.04 32.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 69.7 p -174.78 151.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 89' ' ' ALA . 5.2 m -153.68 178.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.6 ttm-85 -159.7 103.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -104.44 170.42 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.74 151.87 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 25.6 p90 -143.51 -174.4 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -140.68 161.55 53.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.96 150.62 38.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.97 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.99 -28.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.65 85.71 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 45.74 44.14 10.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.28 127.97 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.88 111.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.767 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.2 mm -57.82 135.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 28.8 mt -109.15 -24.55 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.17 -165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.767 ' HE1' HG21 ' A' ' 58' ' ' ILE . 16.4 m-85 -147.81 174.3 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -139.56 132.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.812 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.3 102.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.697 HG22 ' HB ' ' A' ' 77' ' ' VAL . 33.7 p -88.77 121.11 30.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 76' ' ' THR . 3.4 p80 -113.44 132.27 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 98' ' ' TYR . 8.4 ptm180 -162.09 -174.79 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.1 mt -107.11 147.71 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' C ' ' CG2' ' A' ' 69' ' ' THR . 9.9 t30 -88.56 23.8 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 7.5 p -148.74 -140.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p 48.58 -154.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.1 160.29 14.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 73' ' ' ASN . . . -91.98 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.53 ' O ' ' OG1' ' A' ' 74' ' ' THR . 2.6 m120 174.0 68.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 43.3 p 51.46 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 66' ' ' ARG . . . -129.9 147.08 51.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 65' ' ' HIS . 77.4 m -74.22 97.5 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.697 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.9 OUTLIER -95.52 158.99 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.81 136.12 36.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.87 133.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.927 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.9 mt -114.24 167.26 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -74.94 167.72 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -118.56 34.83 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.88 123.33 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -106.85 -20.4 13.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.8 pt20 -149.61 162.89 39.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.682 ' CD2' HG21 ' A' ' 63' ' ' ILE . 69.3 t80 -142.87 149.57 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 m -110.61 127.84 55.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.65 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.15 140.65 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 p -141.34 138.0 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.56 54.58 2.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 5.1 mt -115.91 168.12 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 ttmm -100.62 128.08 30.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.759 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.02 43.23 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.458 ' HB3' HD22 ' A' ' 67' ' ' LEU . 2.0 m -152.63 169.88 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 119' ' ' VAL . 4.2 t -111.86 129.87 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.797 ' CE1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 -114.02 136.06 53.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.7 tm? -98.4 116.73 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.2 m-85 -102.24 112.85 25.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 7.4 ttt-85 -105.71 115.65 30.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 46' ' ' LEU . 18.7 mt -99.95 139.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.5 m -148.24 159.42 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -113.18 160.19 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 37.1 tt0 -123.61 121.91 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -123.68 -167.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -74.87 -12.36 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 27' ' ' VAL . 1.7 mmmm -91.51 -44.04 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.1 -127.99 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 87.8 m95 -120.42 114.1 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.41 -156.5 9.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -51.21 163.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -136.07 140.37 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.2 121.25 36.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 121.64 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.56 127.49 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.4 mt -93.46 148.91 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.5 p -153.07 126.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.58 151.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -104.72 111.47 24.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 t -176.15 169.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -88.85 -44.48 10.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.9 164.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -146.87 143.52 28.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 p -164.67 168.1 18.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -109.86 103.23 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 155.51 42.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.9 p -145.18 161.78 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.68 96.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.06 171.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -162.78 169.6 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.31 -171.3 34.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 p -171.33 156.02 4.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.4 164.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.91 116.43 0.51 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 137.94 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 pt -121.08 174.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.91 131.95 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p30 168.84 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.3 91.58 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.5 p -179.11 79.91 0.21 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t 39.32 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.043 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -81.11 146.09 57.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.619 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 159.09 41.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.95 155.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -120.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.4 126.36 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.64 80.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.542 HG22 ' HG ' ' A' ' 24' ' ' LEU . 1.3 m -75.35 -72.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' HG22 ' A' ' 23' ' ' THR . 74.6 mt -136.5 157.15 47.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -104.5 106.95 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -169.43 154.59 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -66.07 160.2 65.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.97 178.41 7.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.17 -169.21 34.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.03 137.16 21.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 110.79 3.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -91.36 161.39 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 42.49 6.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.888 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.3 mm -88.2 103.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.888 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.7 mm? -129.41 158.35 39.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 118' ' ' VAL . 81.6 m-85 -120.92 93.54 48.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.98 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.8 tt0 -118.9 111.95 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -139.77 119.36 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.9 mtp180 -107.15 -161.5 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.0 OUTLIER -69.06 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 92' ' ' LEU . 45.6 p -77.33 5.37 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -140.27 129.45 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.049 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -139.76 163.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.3 ttm180 -147.43 115.08 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -116.24 169.7 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -133.94 169.06 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.547 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 34.2 p90 -160.82 -176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.73 162.74 44.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 154.14 42.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.568 1.825 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.0 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.01 -29.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 85.0 16.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -36.86 2.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.0 42.34 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.99 129.04 1.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -58.17 129.28 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 ' CE1' ' A' ' 61' ' ' TYR . 23.3 mm -76.13 134.59 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.5 -23.72 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.14 -171.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -137.87 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -139.07 131.92 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.52 104.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.835 HG22 ' HB ' ' A' ' 77' ' ' VAL . 18.7 p -93.18 125.87 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.65 124.36 49.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 28.2 ptt180 -151.15 153.12 34.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.7 mt -78.13 125.91 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.505 ' ND2' HD21 ' A' ' 117' ' ' LEU . 3.5 t30 -69.28 -10.49 58.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' THR . 14.9 p -147.58 85.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 179.14 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 p 45.97 92.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.75 -179.77 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -41.75 -52.96 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -166.39 168.69 14.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 74' ' ' THR . . . -97.43 113.11 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.7 m -71.2 98.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.835 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -85.48 151.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -124.61 135.91 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -92.62 129.05 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.953 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -107.84 172.2 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.1 167.48 35.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.5 p -118.71 34.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.68 132.8 44.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -24.37 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 47' ' ' ILE . 7.0 pt20 -145.98 166.23 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.621 ' HD2' HD21 ' A' ' 80' ' ' LEU . 17.5 t80 -147.16 137.7 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.5 m -100.04 131.01 46.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.787 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.22 144.95 31.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 p -148.08 146.22 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.56 50.23 4.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.667 ' O ' HG22 ' A' ' 42' ' ' THR . 1.2 mt -118.35 161.97 19.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -92.62 129.28 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.02 162.08 37.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 64.06 45.71 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 57.5 m -152.77 -175.36 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 119' ' ' VAL . 13.5 t -128.07 132.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 67' ' ' LEU . 25.6 m-85 -119.82 133.76 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.5 tm? -94.59 117.65 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 19.5 m-85 -100.16 112.56 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.8 ttp180 -103.0 112.3 25.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' A' ' 31' ' ' PRO . 26.5 mt -98.41 136.73 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -114.28 157.12 23.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.8 tt0 -118.71 125.41 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.429 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.4 p -123.88 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -78.56 -4.7 50.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.705 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -103.5 -30.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.39 -143.06 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 79.6 m95 -108.86 120.42 42.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.67 -153.04 17.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -50.77 165.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.89 138.06 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.15 121.9 37.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.56 ' CB ' HD21 ' A' ' 99' ' ' LEU . 10.3 mt-10 -99.64 123.58 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.11 127.06 33.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.505 HD21 ' ND2' ' A' ' 68' ' ' ASN . 1.8 mt -94.52 140.58 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.1 p -145.27 123.44 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 97' ' ' VAL . 3.2 t -80.69 154.65 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -103.31 111.25 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 119' ' ' VAL . 2.9 t -176.99 172.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.36 -24.1 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -80.25 160.6 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.36 154.4 31.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.52 169.99 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.52 119.47 0.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.25 6.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -161.47 146.31 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.3 p -166.75 137.63 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -147.56 -59.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.57 146.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.52 -139.58 9.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m 56.96 76.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -162.36 145.23 11.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 119.82 3.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.48 140.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 pt -110.37 -176.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.43 163.8 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -161.78 151.85 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.8 138.87 5.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.44 96.27 0.3 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.81 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.2 p -177.16 138.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 153.44 18.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.25 22.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.792 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.84 134.19 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tt -173.73 87.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.03 112.38 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -166.52 86.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.4 p -52.47 -56.78 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.85 144.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.64 90.55 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER 178.34 152.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 27' ' ' VAL . 3.4 m -69.08 160.23 79.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.73 8.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.31 -168.1 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.04 133.07 16.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.561 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.96 109.62 2.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -89.43 164.3 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.46 49.81 4.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.4 mm -97.08 109.36 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' ILE . 70.5 mt -129.92 149.23 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 64.4 m-85 -113.93 92.01 24.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.95 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.3 tt0 -113.91 114.74 26.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 36' ' ' PHE . 63.7 t -140.88 110.53 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 mtp85 -104.62 -164.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -69.01 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.426 HG22 ' HD3' ' A' ' 94' ' ' PRO . 12.3 p -90.57 24.82 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.1 p -159.07 130.96 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.801 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -141.12 174.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.2 ttm-85 -162.05 105.58 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 102' ' ' ILE . 1.1 pt? -104.48 169.54 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.22 130.89 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.742 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.7 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -135.3 162.41 57.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 149.92 37.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.02 120.35 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.77 -28.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.34 84.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 m120 39.47 42.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.36 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.8 mm -49.83 131.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.863 HG21 ' CE1' ' A' ' 61' ' ' TYR . 10.8 mm -84.02 125.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -97.53 -20.46 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.22 -169.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.863 ' CE1' HG21 ' A' ' 58' ' ' ILE . 28.8 m-85 -142.4 173.32 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 32.8 tt0 -138.57 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.9 119.12 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.419 HG22 HG22 ' A' ' 77' ' ' VAL . 21.2 p -115.23 129.96 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -128.34 133.13 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 33.8 ptt180 -162.08 135.7 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.669 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -37.8 126.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.525 ' CG ' HD21 ' A' ' 117' ' ' LEU . 64.7 t30 -64.49 -10.84 28.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -148.48 84.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 177.44 -43.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p 42.89 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.89 175.08 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -43.2 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -152.28 175.73 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' N ' HG23 ' A' ' 74' ' ' THR . . . -116.81 134.64 54.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -64.0 103.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.453 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 82.6 t -99.66 135.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -132.13 135.96 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.2 t -97.32 126.24 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.963 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -106.8 171.08 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.39 167.35 37.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 -4.11 14.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 35.18 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.66 121.75 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -15.16 14.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.435 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -149.1 165.63 31.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.9 t80 -149.86 143.32 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.3 m -102.15 121.55 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.801 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.36 115.56 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.3 p -114.26 163.32 15.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.52 65.14 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -124.55 162.07 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 10.9 ttmt -92.13 125.76 55.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.93 163.57 35.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 60.87 44.04 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -151.8 -178.63 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.938 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 119' ' ' VAL . 25.7 t -122.34 130.82 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.669 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.3 m-85 -117.21 127.42 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.6 OUTLIER -93.55 113.75 25.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 11.7 m-85 -95.61 116.51 28.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.41 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 2.8 ttp180 -105.86 111.25 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.742 HD13 ' HB3' ' A' ' 48' ' ' TRP . 21.6 mt -97.15 137.15 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -148.06 154.57 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -108.67 157.33 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 43.3 tt0 -116.98 120.5 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.5 p -122.98 178.07 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -62.04 -20.11 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 6.4 mmmt -84.57 -38.98 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.99 -132.54 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.5 m95 -114.24 116.92 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.427 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -81.79 -154.99 13.88 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -49.22 167.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -138.96 132.7 30.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -90.52 120.38 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.853 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp0 -96.32 125.89 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.509 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -136.71 120.11 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.3 mt -87.9 145.92 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 p -150.47 127.81 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -84.58 158.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 41' ' ' THR . 2.1 p -114.0 114.63 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.3 t -176.7 170.59 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -87.85 -37.65 16.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -69.56 171.7 8.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -54.42 2.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.22 159.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.77 123.77 0.9 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.06 32.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.0 p -174.14 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -74.89 163.99 27.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.97 167.98 4.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.29 170.16 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.47 175.12 37.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -163.69 170.34 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.747 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -137.12 165.18 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.1 160.41 33.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 99.59 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -121.31 161.71 21.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.68 -175.14 31.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.36 123.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.33 130.5 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m 178.72 154.59 0.55 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -53.01 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.449 1.762 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t 71.28 84.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -80.52 160.04 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.03 145.46 31.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.4 mt -96.89 131.24 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.48 84.88 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -148.77 62.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.82 84.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.06 -60.13 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.15 174.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.01 129.74 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.95 152.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG13 ' HB3' ' A' ' 108' ' ' LYS . 6.5 m -43.26 158.98 0.23 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 157.37 42.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.437 1.756 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.41 -171.23 21.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -75.04 141.08 26.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.95 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -90.54 160.35 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 88.45 44.87 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.6 mm -89.08 101.71 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.4 mm? -126.75 151.05 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE2' HG11 ' A' ' 118' ' ' VAL . 86.8 m-85 -115.19 89.42 20.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.712 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.6 tt0 -124.3 107.75 11.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.36 115.14 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' SER . 23.1 mtp180 -104.52 -162.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -73.25 -83.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 92' ' ' LEU . 62.4 p -88.66 26.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 44.6 m -166.43 118.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -128.67 167.6 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.5 ttm-85 -155.66 115.21 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -113.34 169.93 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.75 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -137.61 139.74 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 32.1 p90 -129.29 -178.73 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -135.45 162.63 56.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.98 152.36 40.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.772 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.76 -31.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.51 86.0 17.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.23 42.96 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.16 126.63 1.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.26 127.65 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' TYR . 30.5 mm -73.51 133.6 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 106' ' ' THR . 3.7 mp -102.74 -27.12 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 178.24 -169.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.718 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.1 m-85 -142.62 172.53 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.1 tt0 -137.72 132.97 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.92 107.45 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.78 HG22 ' HB ' ' A' ' 77' ' ' VAL . 15.6 p -98.36 125.98 43.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 76' ' ' THR . 2.7 p80 -118.16 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.708 HH11 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -161.9 156.24 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 98' ' ' TYR . 13.3 mt -81.54 120.05 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -57.95 -16.92 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' THR . 31.2 p -138.21 -158.0 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 67' ' ' LEU . 1.3 t 50.95 175.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.8 OUTLIER -76.28 155.54 34.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 71' ' ' THR . . . 179.34 118.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -54.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.6 p -145.11 -167.69 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -118.1 117.14 28.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' A' ' 65' ' ' HIS . 53.5 m -77.34 99.91 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.78 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -90.05 152.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.7 tt0 -129.27 136.26 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -88.69 127.41 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -108.16 172.26 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.66 168.17 28.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 -5.04 16.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.32 34.87 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.42 130.36 47.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 -24.85 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.75 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -145.53 159.25 43.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.652 ' HD2' HD21 ' A' ' 80' ' ' LEU . 19.3 t80 -143.59 135.79 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.0 m -93.42 124.21 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.797 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.98 114.92 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -116.94 156.94 26.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.37 52.69 5.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 98' ' ' TYR . 2.7 mt -120.11 160.39 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.3 130.83 29.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.03 161.1 39.21 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 66.2 44.21 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 67' ' ' LEU . 16.0 m -152.34 -174.44 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 119' ' ' VAL . 7.2 t -127.76 134.59 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.0 m-85 -122.08 131.21 53.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -94.73 119.01 32.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.669 ' N ' HD22 ' A' ' 99' ' ' LEU . 17.4 m-85 -102.06 112.1 24.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 7.0 ttp180 -103.22 110.44 22.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.628 HG22 ' HG3' ' A' ' 31' ' ' PRO . 24.0 mt -97.61 136.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 112' ' ' GLU . 18.5 m -148.18 154.33 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -106.15 161.04 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.4 tt0 -124.63 121.54 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.515 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.3 p -121.46 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.412 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 21.4 ptt180 -75.91 0.01 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.524 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.5 mppt? -99.92 -48.05 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 161.02 -119.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 93.0 m95 -130.61 108.21 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -72.6 -159.38 4.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -51.02 167.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' CB ' ' OG1' ' A' ' 103' ' ' THR . . . -138.34 144.98 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -99.04 118.94 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.744 ' CG ' HD21 ' A' ' 99' ' ' LEU . 2.0 mt-10 -98.41 120.52 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.502 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.8 124.17 27.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 3.3 mt -91.3 141.22 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.597 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.0 p -145.75 126.25 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -80.62 148.19 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 41' ' ' THR . 4.1 p -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.763 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t -177.33 169.74 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.62 -20.49 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -81.2 138.0 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.67 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 m 62.5 125.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.09 -147.13 5.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.13 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m -120.82 142.89 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.92 94.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -165.71 112.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 t -99.63 163.89 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.15 174.45 39.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.81 127.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 p -172.76 168.82 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.68 167.2 36.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 158.71 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 9' ' ' ILE . 1.6 pp -113.26 174.31 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' N ' HD12 ' A' ' 9' ' ' ILE . . . 142.27 145.67 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 179.9 167.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.61 164.85 38.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -176.77 99.5 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.62 25.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.464 1.771 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.05 150.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -61.41 131.11 92.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 148.79 35.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.07 -175.5 2.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -48.9 156.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.18 60.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 1.9 tp10 179.55 115.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 164.13 95.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.58 -63.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.726 ' C ' HD23 ' A' ' 24' ' ' LEU . 3.5 tt -126.62 119.86 28.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.508 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -179.27 131.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 2.3 m-20 82.49 152.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 108' ' ' LYS . 1.6 m -56.57 162.58 3.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.66 22.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.65 -169.29 45.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.02 136.03 19.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.709 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.96 107.51 2.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -89.07 163.27 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.77 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.3 mm -89.39 104.12 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -125.93 155.14 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 61.8 m-85 -118.3 91.51 40.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.01 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' ARG . 42.0 tt0 -113.78 113.02 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.604 HG11 ' CG2' ' A' ' 118' ' ' VAL . 54.0 t -140.06 118.7 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.6 mtp180 -114.76 -163.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.2 p -68.34 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 92' ' ' LEU . 68.2 p -89.93 24.05 2.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -157.68 129.68 7.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -142.35 172.52 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.3 ttm-85 -160.7 106.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -106.35 169.43 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -137.15 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.646 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -133.47 174.75 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.19 160.55 66.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.02 151.76 39.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.483 1.781 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.02 123.19 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.62 -32.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.19 83.98 16.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -74.95 -34.94 3.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.8 49.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.86 109.44 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 HD12 ' A' ' 24' ' ' LEU . 1.2 mp -45.22 107.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.925 HG21 ' CE1' ' A' ' 61' ' ' TYR . 34.6 mm -52.88 125.35 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.7 mt -98.24 -24.09 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.94 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.26 -170.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.925 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -142.25 172.75 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CD ' ' CG1' ' A' ' 77' ' ' VAL . 34.5 tt0 -137.37 135.35 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.705 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -126.43 121.32 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -117.0 123.59 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -124.02 128.32 49.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' LEU . 26.7 ptt180 -161.55 137.75 8.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.6 OUTLIER -38.24 125.32 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.604 ' CG ' HD21 ' A' ' 117' ' ' LEU . 65.4 t30 -62.81 -12.56 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.425 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 37.6 p -151.48 95.98 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -178.01 178.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 70' ' ' THR . 76.6 p -130.46 115.25 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.93 173.48 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -64.59 -48.64 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -168.11 168.49 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' HG23 ' A' ' 74' ' ' THR . . . -94.05 130.62 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 m -64.95 98.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.489 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 76.3 t -87.26 132.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.3 tt0 -126.1 135.86 52.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.94 128.93 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.94 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -107.96 172.44 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.58 168.88 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.01 -7.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -114.16 33.41 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.968 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.47 118.63 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -16.75 14.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 47' ' ' ILE . 3.1 pt20 -147.21 157.91 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.818 ' HD1' HD21 ' A' ' 80' ' ' LEU . 67.3 t80 -143.8 134.4 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -93.0 117.09 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.821 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -99.45 114.14 26.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -113.09 158.15 20.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.81 3.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.795 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -122.51 159.04 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.6 ttmm -89.46 125.08 62.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.99 160.01 40.72 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.99 41.3 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -148.45 -174.32 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 119' ' ' VAL . 10.7 t -127.76 125.22 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.674 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.4 m-85 -111.36 129.33 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -93.42 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.535 ' N ' HD22 ' A' ' 99' ' ' LEU . 14.3 m-85 -99.74 112.87 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.4 ttp180 -103.78 111.3 23.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.646 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.1 mt -97.54 138.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.6 m -148.49 157.1 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -110.49 160.29 16.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 38.6 tt0 -123.55 121.62 36.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -123.09 -169.32 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.34 -13.52 60.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.1 mmmt -91.25 -36.82 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.3 -129.28 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.8 m95 -118.3 115.75 25.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.411 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -76.79 -153.38 5.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -53.27 169.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.96 134.14 34.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.77 118.66 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' CG ' HD21 ' A' ' 99' ' ' LEU . 8.3 mt-10 -96.15 128.28 42.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.52 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -137.52 125.64 22.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.604 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.5 mt -92.57 145.89 24.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' HG11 ' A' ' 39' ' ' VAL . 7.3 p -151.13 126.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 97' ' ' VAL . 3.7 t -86.94 151.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' PRO . 3.9 p -98.87 110.32 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.563 HG22 HG12 ' A' ' 119' ' ' VAL . 2.5 t -178.17 171.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' LYS . 56.5 mt-10 -94.6 -47.6 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.8 OUTLIER 38.27 -155.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -161.26 -64.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.1 170.99 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -132.36 96.72 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.48 5.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.2 t -134.58 139.23 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.71 153.8 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p 177.18 141.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -168.62 169.11 10.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.29 152.84 5.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.02 125.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -167.88 170.45 10.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.052 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.2 134.53 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -173.97 141.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.0 157.53 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.25 98.97 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -179.69 161.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.24 106.43 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -178.81 96.96 0.21 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.028 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 p -114.85 157.73 22.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 165.61 27.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.55 39.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.44 20.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -84.25 131.94 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.13 107.24 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.29 80.59 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 171.25 106.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -47.17 -71.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -134.23 -161.84 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' CG ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -176.3 168.8 2.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER 71.5 161.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -87.91 160.59 46.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.05 166.29 29.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.35 -164.07 39.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.76 18.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 108.23 2.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -91.77 163.47 14.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.32 6.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.825 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.2 mm -88.5 104.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.9 mm? -128.88 158.35 39.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 118' ' ' VAL . 72.5 m-85 -121.33 92.87 48.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 45' ' ' ARG . 59.0 tt0 -118.42 112.41 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.32 115.76 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' SER . 17.5 mtp180 -104.71 -162.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.2 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 92' ' ' LEU . 74.9 p -89.34 27.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 3.3 p -166.97 115.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -126.41 165.48 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.33 117.2 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -119.31 168.51 10.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.849 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -135.59 157.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.526 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 37.1 p90 -146.5 175.37 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.74 163.43 50.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 151.77 39.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.04 119.15 5.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . . . -40.09 -30.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.38 84.19 17.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.23 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 7.7 m120 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.53 126.27 2.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.32 123.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 ' CE1' ' A' ' 61' ' ' TYR . 36.9 mm -68.25 127.78 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.0 mp -93.63 -27.04 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.32 -169.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.843 ' CE1' HG21 ' A' ' 58' ' ' ILE . 15.2 m-85 -141.41 170.8 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.7 tt0 -134.74 131.89 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.657 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.37 111.58 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -107.76 132.12 53.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 1.9 p80 -127.61 139.0 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HD2' ' HB2' ' A' ' 75' ' ' ALA . 1.4 ptm180 -161.66 154.57 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 98' ' ' TYR . 11.3 mt -72.58 108.16 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -47.34 -30.02 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.7 p -148.32 116.83 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.634 HG21 ' HB2' ' A' ' 67' ' ' LEU . 9.7 t -174.89 -152.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.537 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 24.2 p -100.4 139.91 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 71' ' ' THR . . . 73.37 179.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -139.39 96.67 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 p -150.63 140.9 22.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' ' 66' ' ' ARG . . . -129.04 131.98 47.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 37.8 m -82.44 97.73 8.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.401 HG13 ' CG ' ' A' ' 62' ' ' GLN . 69.7 t -82.79 135.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -135.01 136.41 42.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.24 133.0 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.951 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mt -117.51 172.11 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.74 165.65 47.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 0.15 9.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -121.47 34.25 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.27 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -102.67 -23.94 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.849 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.3 pt20 -146.17 163.3 35.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' HD2' HD21 ' A' ' 80' ' ' LEU . 3.3 t80 -149.01 126.36 11.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -83.85 127.39 33.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.723 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.86 115.24 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.1 p -116.67 154.88 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.21 50.77 5.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 2.9 mt -117.32 154.4 31.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' OG ' ' A' ' 96' ' ' SER . 12.9 ttpt -85.09 129.52 55.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.0 Cg_endo -75.04 155.04 42.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 65.96 44.22 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.601 ' O ' HG22 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -141.47 -169.09 2.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 119' ' ' VAL . 66.0 t -134.98 103.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.723 ' CE1' HD21 ' A' ' 67' ' ' LEU . 18.0 m-85 -96.05 126.56 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -92.19 122.43 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.5 m-85 -101.95 113.16 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.4 ttp180 -102.68 111.79 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.504 HG22 ' CG ' ' A' ' 31' ' ' PRO . 37.3 mt -99.82 139.29 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.3 m -148.51 162.06 40.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -120.13 155.28 33.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.4 tt0 -121.08 126.33 49.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 p -121.96 -170.23 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -76.74 -2.21 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 mmmt -105.45 -43.6 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.1 -163.45 31.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.6 m95 -89.78 119.37 30.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.19 -152.35 7.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -52.92 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -142.73 128.9 19.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -91.61 118.91 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.568 ' CB ' HD21 ' A' ' 99' ' ' LEU . 5.4 mt-10 -97.68 126.43 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -133.38 122.3 23.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 97' ' ' VAL . 1.8 mt -91.47 139.2 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 36' ' ' PHE . 9.1 p -144.68 124.63 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 97' ' ' VAL . 6.7 t -86.27 146.99 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.7 p -96.87 117.31 30.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.2 t -175.28 169.77 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -95.86 -19.87 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.32 147.45 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -170.3 130.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.4 97.79 2.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.0 145.23 41.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.25 157.67 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 p -172.89 169.76 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 0.731 . . . . 0.0 109.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.91 158.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.77 142.13 10.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -117.58 -59.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.951 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.6 -59.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.44 -129.85 6.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -174.19 128.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 10' ' ' GLY . 8.7 mt -106.96 -80.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 9' ' ' ILE . . . 75.54 128.54 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.6 134.99 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.09 118.97 1.0 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.6 p -173.22 102.57 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.04 -67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.92 155.68 5.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.552 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.67 42.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 158.77 41.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 20' ' ' LEU . 24.8 mt -72.53 164.14 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mp -68.9 -128.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.71 171.08 14.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.29 86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -86.4 -66.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.6 115.45 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.76 119.16 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.63 152.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 4.7 m -41.79 159.93 0.17 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.25 18.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.88 -170.19 46.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.97 135.57 19.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -92.69 163.38 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 42.47 6.06 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.616 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -90.21 99.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.3 mm? -124.68 150.21 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -114.47 90.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.99 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ARG . 26.4 tt0 -112.32 116.89 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 36' ' ' PHE . 73.4 t -142.91 129.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' SER . 13.6 mmt-85 -128.18 -169.76 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -66.25 -60.52 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 92' ' ' LEU . 63.3 p -123.49 40.08 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.8 p -171.79 97.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -115.1 174.72 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ttm-85 -164.44 104.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -101.37 169.36 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.52 132.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' A' ' 102' ' ' ILE . 30.3 p90 -124.18 -176.83 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -140.97 162.96 45.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 149.92 37.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.05 120.03 5.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.73 -29.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.59 85.66 17.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.02 -34.6 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.13 42.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.0 150.31 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -78.5 106.54 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.716 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.91 116.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 19.9 mt -95.76 -25.87 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.933 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.36 -175.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.716 ' HE1' HG21 ' A' ' 58' ' ' ILE . 10.3 m-85 -134.46 175.15 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.6 tt0 -140.21 133.96 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -126.23 111.02 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.831 HG22 ' HB ' ' A' ' 77' ' ' VAL . 12.1 p -103.81 129.28 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -126.52 125.41 41.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -159.61 135.21 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -40.0 130.48 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 62.9 t30 -68.55 -8.46 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.439 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 15.0 p -151.0 89.91 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -178.71 178.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.457 ' N ' HG23 ' A' ' 70' ' ' THR . 65.7 p -139.21 159.33 42.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.71 -68.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 74' ' ' THR . 2.8 t30 170.5 -39.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 73' ' ' ASN . 16.5 p -155.7 -167.12 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 77' ' ' VAL . . . -128.26 130.92 48.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 m -70.14 87.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.831 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -89.81 158.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.98 135.8 36.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.64 132.86 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.933 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -113.35 171.75 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 166.56 41.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.705 ' HB3' HG22 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.7 p -119.15 33.38 5.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.02 119.23 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.32 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.454 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -150.73 159.34 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.678 ' HD1' HD21 ' A' ' 80' ' ' LEU . 42.3 t80 -144.99 148.65 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.2 m -111.18 123.29 49.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.802 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.83 131.45 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.1 p -124.04 151.83 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.52 55.8 8.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -113.15 145.8 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.71 123.93 88.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.07 164.22 33.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 51.74 35.52 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -134.24 -172.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 119' ' ' VAL . 37.8 t -125.88 126.66 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.677 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.3 m-85 -116.89 127.02 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -94.29 111.59 23.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.5 m-85 -93.76 113.04 25.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.424 ' CD ' ' CG ' ' A' ' 115' ' ' GLU . 2.9 ttp85 -102.83 111.23 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 46' ' ' LEU . 24.6 mt -98.79 137.6 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.7 m -148.1 159.64 43.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -119.56 140.68 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -103.84 125.87 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 4.9 p -124.04 -168.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -73.56 -9.62 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -97.06 -37.01 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.72 -138.69 7.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 89.8 m95 -109.37 111.94 23.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.88 -150.14 4.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -52.25 166.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.29 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.61 117.37 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.652 ' HB3' HD21 ' A' ' 99' ' ' LEU . 12.5 mt-10 -97.9 124.48 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.98 124.76 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 2.1 mt -92.34 135.73 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.1 p -138.56 125.84 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -89.04 139.09 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 41' ' ' THR . 24.0 p -92.65 122.76 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 120' ' ' THR . 7.7 t -176.21 168.14 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -85.01 -45.57 12.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.5 136.32 56.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.85 173.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.15 80.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 159.5 -75.16 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.51 174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.3 p -132.09 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.62 145.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -173.72 168.42 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.0 151.43 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.09 162.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -166.99 162.39 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.91 155.44 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 101.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -109.45 136.07 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.63 155.02 23.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.22 162.48 4.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.806 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.29 138.91 4.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.33 80.04 1.07 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.69 10.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -62.54 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 t-80 66.45 145.21 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 16' ' ' HIS . 18.5 Cg_endo -75.01 158.07 42.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.7 mt -90.64 143.21 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -131.19 76.38 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.4 84.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -147.51 87.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 m -80.12 -77.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -98.55 138.81 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.45 168.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -167.71 155.1 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.5 m -48.01 159.68 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.05 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.14 -171.11 24.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.02 133.51 16.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.597 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 107.66 2.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -89.21 161.17 16.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.48 43.55 5.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.0 mm -91.85 104.16 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.1 mm? -128.16 155.39 44.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 81.1 m-85 -118.83 93.15 45.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.0 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' ARG . 47.8 tt0 -117.36 111.17 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.4 118.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp180 -109.64 -163.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.1 p -67.54 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 92' ' ' LEU . 49.1 p -88.14 25.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.5 p -160.65 116.65 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -129.91 167.16 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.8 ttm-85 -151.38 105.24 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -106.15 169.59 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.04 154.57 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' HB3' HD13 ' A' ' 102' ' ' ILE . 35.8 p90 -144.34 179.96 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -136.79 162.65 54.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.04 150.06 37.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.03 120.35 6.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.75 -27.48 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.3 86.71 18.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.04 -31.79 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 18.0 p30 38.19 36.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.83 130.51 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 106' ' ' THR . 1.0 OUTLIER -57.28 133.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 61' ' ' TYR . 18.0 mm -80.87 130.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -98.68 -22.13 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.25 -171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.1 m-85 -140.29 167.38 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.7 tt0 -132.47 135.37 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -126.14 108.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.807 HG22 ' HB ' ' A' ' 77' ' ' VAL . 6.5 p -104.05 133.71 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -131.76 133.8 45.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LEU . 19.1 ptt85 -162.53 133.68 5.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.681 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -38.34 126.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.726 ' CG ' HD21 ' A' ' 117' ' ' LEU . 45.5 t30 -70.71 -5.62 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.452 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 17.9 p -150.86 69.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER 173.51 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.657 HG23 ' N ' ' A' ' 72' ' ' ALA . 3.6 t 36.1 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.657 ' N ' HG23 ' A' ' 71' ' ' THR . . . 177.29 -173.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.693 ' O ' HG23 ' A' ' 74' ' ' THR . 5.2 p-10 -55.77 -30.1 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 73' ' ' ASN . 2.4 p -159.76 -171.56 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.13 134.27 47.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 m -80.67 85.2 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.807 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -86.92 158.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -133.83 135.75 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.9 t -90.99 137.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.9 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -119.21 171.97 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.83 168.14 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -9.1 20.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -113.01 32.38 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.28 124.18 44.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -26.77 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.0 pt20 -144.73 161.95 37.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.69 ' HD1' HD21 ' A' ' 80' ' ' LEU . 28.6 t80 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.3 m -115.63 124.65 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.91 114.48 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -113.94 152.52 30.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.96 58.06 4.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' THR . 1.6 mt -118.73 153.51 34.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -83.48 125.04 74.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 120' ' ' THR . 18.4 Cg_endo -74.92 161.7 38.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 62.62 38.31 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -145.87 -175.93 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.073 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 119' ' ' VAL . 11.3 t -125.42 129.28 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.681 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.1 m-85 -114.6 128.06 56.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.723 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -90.13 110.6 21.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.599 ' N ' HD22 ' A' ' 99' ' ' LEU . 11.5 m-85 -93.93 112.76 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 4.9 ttp-105 -104.14 112.84 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 48' ' ' TRP . 35.0 mt -99.22 138.59 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.2 m -148.28 160.39 43.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.706 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.46 152.24 33.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.1 tt0 -114.19 123.97 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 57' ' ' ILE . 2.0 p -123.87 -168.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -78.88 1.7 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HB2' HG13 ' A' ' 27' ' ' VAL . 9.3 mmmt -108.49 -31.41 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.0 -135.32 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.4 m95 -114.27 112.83 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.27 -152.93 6.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -47.74 166.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -140.44 134.97 31.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -94.77 118.88 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.723 ' CG ' HD21 ' A' ' 99' ' ' LEU . 3.2 mt-10 -97.69 126.11 42.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -135.26 128.07 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.726 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.6 mt -93.85 141.32 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 8.8 p -146.6 121.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.22 147.26 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 94' ' ' PRO . 20.8 p -98.6 116.66 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 119' ' ' VAL . 2.1 t -177.89 171.42 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.83 -20.62 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -83.14 162.75 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 157.15 42.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.56 172.21 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -155.83 153.8 25.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 140.78 25.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.11 85.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.8 t 73.64 -58.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.22 148.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.15 170.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.46 153.99 25.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.36 167.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.95 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -160.83 163.08 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.15 -135.63 11.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 51.82 89.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 pp -123.97 166.64 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 131.56 5.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.51 137.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.61 126.94 3.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 p 179.79 85.64 0.19 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 p 173.11 160.6 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -141.96 147.28 44.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.96 145.6 31.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.03 159.56 41.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.59 131.44 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.92 106.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 176.56 98.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.87 102.37 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -68.4 -48.08 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.15 152.45 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -169.89 -179.86 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.721 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.1 m -90.8 160.77 37.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.89 -167.7 30.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.16 17.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -87.76 160.37 18.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.69 45.06 5.01 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.9 mm -91.8 115.57 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.807 ' O ' HD13 ' A' ' 47' ' ' ILE . 91.0 mt -140.52 157.55 45.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 118' ' ' VAL . 94.0 m-85 -121.17 93.72 48.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.5 tt0 -117.92 111.26 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.14 114.07 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -101.47 -161.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -76.06 -81.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.456 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.1 p -87.28 23.05 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 72.2 m -165.64 128.64 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.678 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -137.44 168.72 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 38' ' ' GLU . 14.5 ttm180 -152.45 109.11 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.595 HD11 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -109.04 169.57 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -135.1 165.45 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 29.3 p90 -159.19 178.48 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -135.23 162.89 54.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.99 152.58 40.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.06 124.87 8.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.79 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.77 84.98 21.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 41.99 45.24 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.55 127.67 1.47 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.35 130.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.981 HG21 ' CE1' ' A' ' 61' ' ' TYR . 13.7 mm -78.33 129.59 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 179.0 -162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.981 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.2 m-85 -148.96 171.28 16.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -138.07 132.98 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.726 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.59 107.63 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.767 HG22 ' HB ' ' A' ' 77' ' ' VAL . 11.6 p -98.27 160.04 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.475 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 14.1 p80 -156.85 131.63 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -162.08 131.15 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -37.2 119.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.419 ' CG ' HD21 ' A' ' 117' ' ' LEU . 64.2 t30 -50.58 -20.21 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 67' ' ' LEU . 24.1 p -148.1 -126.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' N ' ' A' ' 71' ' ' THR . 0.5 OUTLIER 46.15 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.715 ' N ' HG23 ' A' ' 70' ' ' THR . 41.2 p -68.99 92.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.36 150.58 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' O ' ' OG1' ' A' ' 74' ' ' THR . 1.6 t-20 -165.46 93.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 51.5 p 49.93 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 122.47 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.475 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 14.0 m -87.95 86.72 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.767 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -92.74 154.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -132.57 136.28 46.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -85.33 131.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mt -113.27 170.6 8.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.03 166.5 41.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -74.99 -1.55 11.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.02 35.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.87 126.97 51.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 -27.71 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 10.4 pt20 -142.56 162.06 36.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.709 ' HD1' HD21 ' A' ' 80' ' ' LEU . 43.4 t80 -142.53 150.62 40.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.6 m -107.9 124.97 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.21 118.4 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -118.41 154.23 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.71 58.35 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -119.83 164.1 16.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 6.1 ttmm -92.39 128.05 46.27 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.1 Cg_endo -74.99 161.99 37.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 58.2 43.72 20.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.546 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -150.52 167.95 25.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 119' ' ' VAL . 3.0 t -109.61 129.02 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.732 ' CE1' HD21 ' A' ' 67' ' ' LEU . 7.1 m-85 -114.73 123.87 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -86.01 109.64 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.532 ' CD2' HD22 ' A' ' 46' ' ' LEU . 10.8 m-85 -93.65 114.49 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp180 -105.85 113.47 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.595 HD11 HD11 ' A' ' 46' ' ' LEU . 22.7 mt -98.77 138.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.6 m -148.93 159.74 43.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -115.03 159.23 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.3 tt0 -120.34 125.51 48.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -123.86 -170.84 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -80.56 2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HB2' HG13 ' A' ' 27' ' ' VAL . 11.0 mmmt -111.52 -28.7 8.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 143.7 -144.54 13.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 85.8 m95 -108.59 118.48 36.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.95 -152.61 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.9 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -144.19 130.75 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.19 118.68 31.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 99' ' ' LEU . 5.3 mt-10 -95.94 127.21 41.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -135.55 127.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 68' ' ' ASN . 3.1 mt -94.9 136.79 34.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 36' ' ' PHE . 13.1 p -142.61 123.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 97' ' ' VAL . 2.8 t -80.57 148.81 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 p -95.03 106.83 18.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.584 HG22 HG12 ' A' ' 119' ' ' VAL . 3.6 t -174.27 177.58 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' N ' ' OG1' ' A' ' 121' ' ' THR . 26.8 mt-10 -88.99 -36.96 15.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 177.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 147.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 m -166.75 91.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -40.93 100.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.15 7.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 90.7 p -137.97 160.9 38.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 t -178.75 159.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -166.1 137.32 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.69 153.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.65 112.82 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.86 96.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.28 149.93 47.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.05 175.75 20.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.04 147.39 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 mm 64.11 117.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.83 79.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.99 152.13 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.41 162.63 24.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.7 93.17 6.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.99 41.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 165.35 22.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.94 137.39 65.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 151.37 39.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 115.08 4.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -40.34 135.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.56 110.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.24 171.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 78.68 4.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -85.06 -57.42 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 24' ' ' LEU . 2.3 mm? -93.12 171.41 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -109.0 128.43 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 176.85 155.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 6.5 m -47.42 159.49 0.42 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.01 -174.18 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.72 -176.38 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.95 138.66 23.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.07 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -90.04 161.87 15.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 45.36 4.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.173 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.3 mm -90.46 113.95 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 47' ' ' ILE . 76.5 mt -136.11 153.82 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -117.6 92.68 41.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 44.9 tt0 -113.15 115.9 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 36' ' ' PHE . 69.6 t -141.33 107.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.3 mtp180 -100.64 -166.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -70.52 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.5 p -95.83 30.9 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.9 p -167.79 123.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.898 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.8 m -131.6 168.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.4 ttm-85 -156.19 105.9 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -106.41 169.6 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.54 158.77 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.52 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 35.4 p90 -149.17 176.38 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -130.03 162.95 50.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 150.48 38.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.04 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.96 85.82 18.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 -33.21 4.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 23.3 p30 40.19 43.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.44 124.2 0.98 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 mp -53.07 121.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.815 HG21 ' CE1' ' A' ' 61' ' ' TYR . 14.7 mm -70.99 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 26.4 mt -104.88 -21.85 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.96 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.78 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.815 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.3 m-85 -142.57 172.85 12.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 10.5 tt0 -137.24 133.17 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.01 113.82 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 p -109.86 121.39 45.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.431 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 15.2 p80 -118.45 131.16 56.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.588 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.26 127.76 10.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.6 mt -46.93 137.35 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.705 ' HB2' HG22 ' A' ' 97' ' ' VAL . 38.6 t30 -80.03 4.02 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 70' ' ' THR . 7.1 p -144.37 65.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 69' ' ' THR . 1.6 p -160.52 -50.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 70' ' ' THR . 63.4 p 46.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.69 -175.68 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.39 -62.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 p -134.55 -170.95 2.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.43 164.74 23.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.431 ' HB ' ' NE2' ' A' ' 65' ' ' HIS . 18.1 m -76.73 99.14 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.419 HG13 ' CG ' ' A' ' 62' ' ' GLN . 58.8 t -94.89 148.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.5 tt0 -146.32 135.46 22.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -93.91 127.12 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.96 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.8 mt -107.64 170.53 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.77 166.93 41.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -2.84 13.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -119.04 34.47 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.21 124.41 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -108.17 -18.57 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.516 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 pt20 -150.2 165.72 32.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -151.04 131.8 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -92.41 134.38 35.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -113.12 115.37 28.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.8 p -116.8 156.72 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.01 53.27 4.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 42' ' ' THR . 2.3 mt -120.85 158.41 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.58 134.49 27.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 163.4 35.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 64.1 51.37 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.626 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.0 m -163.42 -174.47 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.705 HG22 ' HB2' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -135.72 147.72 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.639 ' CE1' HD21 ' A' ' 67' ' ' LEU . 62.1 m-85 -127.24 137.06 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -91.39 109.04 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.451 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 23.0 m-85 -94.05 112.25 24.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.9 ttp180 -105.89 113.6 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.557 HG22 ' HG3' ' A' ' 31' ' ' PRO . 17.7 mt -99.08 139.71 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 112' ' ' GLU . 4.3 m -148.28 160.15 43.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.6 156.24 26.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.9 tt0 -122.24 121.99 38.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.7 p -124.44 -167.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.67 -4.82 39.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -99.55 -40.09 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.63 -141.16 9.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 90.8 m95 -108.95 109.8 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.98 -152.43 6.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -50.95 165.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -140.07 139.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.529 ' CG ' HD21 ' A' ' 99' ' ' LEU . 9.8 mt-10 -100.14 123.17 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.549 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.83 130.83 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 97' ' ' VAL . 3.7 mt -99.29 148.46 24.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.588 HG11 ' CE1' ' A' ' 36' ' ' PHE . 5.0 p -149.46 129.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.6 HG22 ' HB ' ' A' ' 97' ' ' VAL . 25.4 t -90.35 147.21 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 8.5 p -100.33 117.28 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.1 t -178.72 170.1 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.95 -20.97 18.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 113.09 14.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 162.37 27.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 m -116.61 -61.74 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.07 159.27 11.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.17 24.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.5 m -80.43 -56.79 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.3 t 54.21 95.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m 61.61 169.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -177.17 171.09 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.93 143.76 4.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 171.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.27 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.19 29.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 150.88 41.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mm -105.26 129.64 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.29 129.21 1.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -171.69 170.57 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 170.0 42.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.69 86.12 1.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.85 30.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.47 167.57 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -136.99 147.8 60.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.85 42.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 19' ' ' ILE . 59.0 mt -84.91 58.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' ILE . 24.2 tp 39.16 -106.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 65.58 116.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -124.3 89.94 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -76.5 -56.81 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.2 145.82 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.24 166.38 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.2 156.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.6 m -40.74 159.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.04 169.25 23.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.93 -168.66 45.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.06 135.33 18.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.91 108.1 2.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -88.8 162.75 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 45.87 4.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.6 mm -92.12 120.82 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 47' ' ' ILE . 96.5 mt -144.59 150.22 37.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 83.8 m-85 -114.35 88.71 15.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.697 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -40.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' N ' HH21 ' A' ' 45' ' ' ARG . 27.6 tt0 -119.54 117.92 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 67.6 t -143.19 118.09 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.8 mmt180 -109.35 -167.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.6 OUTLIER -73.6 -77.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 94' ' ' PRO . 43.5 p -92.8 29.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ARG . 15.6 t -170.01 146.57 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -152.38 170.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.505 HH21 ' N ' ' A' ' 38' ' ' GLU . 9.0 ttp180 -155.62 113.99 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.03 170.49 7.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.697 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -140.28 127.38 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.662 ' HB3' HD13 ' A' ' 102' ' ' ILE . 24.5 p90 -117.94 -175.29 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -136.63 162.39 56.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 150.01 37.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 123.72 8.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.89 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -117.28 85.49 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER 41.1 42.87 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.14 132.52 1.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -60.6 112.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.825 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -57.68 136.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.2 mt -110.46 -23.19 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.1 -170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.825 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -142.38 171.46 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.6 tt0 -136.06 137.95 41.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -129.13 111.49 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 77' ' ' VAL . 17.9 p -106.0 128.27 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -123.37 139.52 53.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -161.86 152.37 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.849 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.0 mt -74.63 109.17 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 70' ' ' THR . 58.2 p -132.06 -159.54 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.647 HG21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 53.98 174.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.456 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' THR . 69.5 p -37.09 130.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.58 136.47 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -166.16 95.15 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.49 ' O ' ' O ' ' A' ' 73' ' ' ASN . 24.7 p 49.66 172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -129.41 124.97 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.1 m -63.43 94.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.362 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 64' ' ' THR . 68.9 t -83.43 144.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.48 134.01 37.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -96.36 129.22 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.945 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 1.8 mt -110.33 172.28 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.27 167.88 31.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.92 -0.0 9.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -123.99 32.52 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.79 112.95 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.16 -23.41 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 2.9 mp0 -128.05 175.2 8.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.622 ' CD2' HG21 ' A' ' 63' ' ' ILE . 36.6 t80 -161.11 147.91 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -111.42 127.49 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.59 124.54 50.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.0 p -126.49 152.4 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.76 56.48 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -121.95 165.5 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.8 ttmm -99.41 131.74 24.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 158.57 42.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 65.39 46.15 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.4 m -153.26 -179.1 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 119' ' ' VAL . 4.6 t -123.09 138.82 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.849 ' CE1' HD21 ' A' ' 67' ' ' LEU . 19.9 m-85 -126.05 131.46 52.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.3 tm? -94.85 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.6 m-85 -100.33 112.74 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.486 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.7 ttp180 -102.59 112.61 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.844 HD11 HD11 ' A' ' 46' ' ' LEU . 17.7 mt -97.76 137.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.4 m -147.35 160.0 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.618 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.71 160.6 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.1 tt0 -124.28 119.5 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -123.15 -168.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.66 -17.99 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.549 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.7 mmmm -86.81 -41.82 13.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.28 -141.34 9.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 91.3 m95 -105.53 111.44 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -79.53 -151.19 6.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.63 163.49 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.74 138.7 39.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.79 121.42 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 125.54 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.558 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -137.58 123.63 20.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -90.24 148.09 23.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 6.3 p -149.79 128.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 97' ' ' VAL . 2.7 t -86.41 152.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 41' ' ' THR . 1.8 p -105.37 112.94 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.472 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t -176.58 169.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -91.69 -28.29 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.3 145.9 39.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 120.19 19.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.73 106.04 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -168.78 102.1 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.6 m -98.68 145.61 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.52 170.63 9.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p 54.41 170.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.05 169.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.22 40.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -171.56 166.45 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.46 168.93 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.53 118.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.097 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -162.91 147.01 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mm 62.24 147.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.74 -65.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 60.43 164.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.71 91.2 0.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.04 113.02 1.59 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.02 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t 60.83 169.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -153.73 151.24 24.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.19 39.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 127.7 10.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 19' ' ' ILE . 20.9 mm -82.78 140.08 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.24 66.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -141.02 81.19 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.3 104.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -65.13 -45.88 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.83 124.43 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.94 130.88 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.57 143.7 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB3' ' A' ' 108' ' ' LYS . 11.3 m -41.09 159.25 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.01 164.24 33.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.549 1.815 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -168.4 38.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.99 138.14 22.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.645 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 108.49 2.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -88.85 161.32 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 89.04 42.8 5.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.645 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.0 mm -88.8 97.43 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.8 mm? -121.38 151.34 40.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.2 m-85 -115.36 91.96 30.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.598 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.97 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -113.88 116.53 29.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 36' ' ' PHE . 59.7 t -140.34 108.9 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' SER . 12.3 mtp180 -99.1 -168.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -74.72 -76.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 p -89.58 25.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 2.9 m -168.45 148.09 4.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -150.54 172.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.9 ttm180 -158.27 107.69 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -107.24 169.62 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.7 147.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.582 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.9 p90 -137.31 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -131.75 162.61 55.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 152.51 40.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.09 -30.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.29 84.45 17.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.92 2.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 45.85 44.67 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.61 137.69 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.59 128.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.787 HG21 ' CE1' ' A' ' 61' ' ' TYR . 39.0 mm -72.54 126.16 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 3.7 mp -93.43 -27.18 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.2 -170.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.787 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.9 m-85 -138.93 169.57 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.5 tp-100 -132.75 129.1 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -125.81 114.18 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 128.02 56.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -118.24 123.33 45.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.606 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -137.63 143.63 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.789 ' HB2' HG21 ' A' ' 70' ' ' THR . 6.9 mt -72.47 117.06 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.716 ' CB ' HG22 ' A' ' 97' ' ' VAL . 7.7 t-20 -49.66 -34.44 18.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.467 HG22 ' OD1' ' A' ' 68' ' ' ASN . 19.5 p -132.21 103.89 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.789 HG21 ' HB2' ' A' ' 67' ' ' LEU . 15.3 t -175.74 -153.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.5 p -133.3 -105.48 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' THR . . . 70.25 -167.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.516 ' O ' HG23 ' A' ' 74' ' ' THR . 10.3 p-10 -107.24 -37.93 6.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 73' ' ' ASN . 20.7 p -157.09 -166.22 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -109.41 153.05 24.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.7 m -75.43 98.85 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -90.45 125.68 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.86 131.06 42.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.01 144.14 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.952 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mt -123.11 172.21 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -83.25 166.85 32.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 0.25 9.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 30.47 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CZ2' ' A' ' 48' ' ' TRP . . . -106.26 105.38 15.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -14.79 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -147.24 179.68 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.585 ' HD1' HD21 ' A' ' 80' ' ' LEU . 23.6 t80 -158.49 151.66 22.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -111.47 129.22 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.77 119.26 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 p -123.54 154.85 38.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 56.83 3.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.9 mt -123.93 169.32 11.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -101.15 136.34 19.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.01 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.08 52.69 14.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 92.5 p -153.71 -171.24 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.716 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -137.12 135.7 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.733 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.5 m-85 -123.49 129.84 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.555 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.5 tm? -89.11 116.64 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 46' ' ' LEU . 19.4 m-85 -99.42 111.88 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.485 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.7 ttp180 -102.11 109.16 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD11 HD11 ' A' ' 46' ' ' LEU . 39.0 mt -97.59 136.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.9 m -148.35 163.14 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -116.69 155.34 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.2 tt0 -119.62 122.58 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.7 -167.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -0.27 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB3' HG13 ' A' ' 27' ' ' VAL . 1.3 mppt? -101.54 -46.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.69 -119.76 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.6 m95 -128.31 111.39 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -74.98 -156.23 5.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.84 173.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -146.51 131.52 18.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.58 119.76 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.552 ' HB3' HD21 ' A' ' 99' ' ' LEU . 14.8 mt-10 -100.73 122.94 44.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -135.14 122.16 21.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -92.8 135.77 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 2.9 p -133.53 122.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 96' ' ' SER . 13.7 t -81.46 145.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 69.9 p -94.26 117.17 29.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 2.9 t -179.12 170.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.27 106.7 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 172.11 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -93.33 133.98 36.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.0 m -70.29 156.91 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 152.19 80.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.75 17.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.32 143.93 27.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 t 64.63 167.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.78 147.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 109.958 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -177.9 159.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.78 163.34 12.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -176.17 142.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -175.73 160.32 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.64 -168.33 33.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -136.27 164.36 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 pt -81.02 167.86 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.19 -153.49 8.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 178.79 145.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.58 137.02 3.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -172.77 85.47 0.42 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.38 27.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.2 t -150.76 93.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -139.02 147.46 53.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.629 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 166.5 29.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.35 132.39 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -146.41 111.4 5.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.08 144.51 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.01 109.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -70.47 -58.22 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.85 141.56 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.61 166.35 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 152.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m -40.72 158.93 0.16 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.0 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.808 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.43 -167.12 41.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.31 21.59 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.95 107.56 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -90.33 167.71 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.29 48.21 5.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 116' ' ' ALA . 9.4 mm -93.53 114.24 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 47' ' ' ILE . 89.2 mt -134.29 151.31 51.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 69.3 m-85 -114.98 92.14 29.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -75.0 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.7 tt0 -113.94 115.97 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 HG11 ' CG2' ' A' ' 118' ' ' VAL . 61.1 t -140.62 116.58 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' SER . 1.1 mtp-105 -110.56 -165.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -72.16 -82.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.6 p -90.28 26.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.2 m -164.08 135.88 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.4 m -144.58 170.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.4 ttm180 -157.94 108.23 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -107.83 169.53 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.21 142.05 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.595 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.5 p90 -131.25 178.89 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -133.3 161.49 63.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 153.42 41.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.02 121.38 6.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.45 -29.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.76 84.92 16.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.66 3.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER 40.08 41.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.75 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -62.18 108.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.809 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -53.76 131.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.9 mt -105.43 -22.69 12.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.45 -170.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.809 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.1 m-85 -141.17 173.1 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' CG ' HG13 ' A' ' 77' ' ' VAL . 16.5 tt0 -135.69 134.05 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.733 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.23 121.19 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.512 ' CG2' HG22 ' A' ' 77' ' ' VAL . 4.2 p -117.02 133.85 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -117.27 130.77 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -155.57 134.54 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.771 HD21 ' CE1' ' A' ' 98' ' ' TYR . 12.1 mt -61.92 137.17 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.707 ' CB ' HG22 ' A' ' 97' ' ' VAL . 62.8 t30 -78.23 1.45 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 70' ' ' THR . 15.6 p -142.51 78.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 69' ' ' THR . 1.2 p -159.62 -177.3 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 71' ' ' THR . 0.8 OUTLIER -78.47 1.42 22.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.14 -93.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 t30 70.9 -63.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -160.92 165.69 29.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -129.14 130.11 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.6 m -63.36 94.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG22 ' CG2' ' A' ' 64' ' ' THR . 69.0 t -82.51 146.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -141.48 134.62 29.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.8 t -94.2 130.72 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.973 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -113.13 172.61 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 167.03 38.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 p -121.52 34.02 5.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.19 114.47 28.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.2 mmm180 -97.87 -22.65 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.484 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.7 pt20 -144.27 163.73 32.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 2.9 t80 -147.13 138.69 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.8 m -93.87 129.49 40.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.908 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.56 115.15 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -119.88 164.67 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.47 51.31 12.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 1.2 mt -119.47 159.3 24.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.66 133.51 29.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.26 35.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 63.68 43.03 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.584 ' HB3' HD22 ' A' ' 67' ' ' LEU . 13.3 m -155.67 179.08 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -123.14 137.24 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.771 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.6 m-85 -122.68 122.07 37.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -79.11 141.02 37.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.9 m-85 -120.49 110.08 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.483 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 2.1 ttp180 -99.15 107.9 20.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 48' ' ' TRP . 22.8 mt -98.33 137.98 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.8 m -148.34 159.46 43.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.95 156.0 27.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 4.5 tt0 -120.56 124.04 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 58' ' ' ILE . 7.2 p -123.81 -168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.01 -8.57 56.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.65 -45.57 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.53 -145.16 12.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.1 m95 -105.5 120.25 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.68 -157.58 27.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 103' ' ' THR . 1.6 tt0 -48.36 171.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.94 133.97 30.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.07 117.94 30.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 99' ' ' LEU . 22.7 mt-10 -96.65 121.18 38.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -130.17 123.12 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.535 ' HG ' HD12 ' A' ' 99' ' ' LEU . 1.2 mt -93.61 146.51 23.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 p -147.66 127.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 96' ' ' SER . 9.3 t -87.57 144.32 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.424 ' O ' ' HB ' ' A' ' 121' ' ' THR . 11.8 p -100.82 116.3 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.1 t -176.95 168.84 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -104.54 103.96 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -118.07 105.89 12.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -83.62 91.74 7.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.1 -66.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 122.12 178.56 15.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.28 4.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.24 168.91 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.06 -59.5 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.14 141.04 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.56 142.26 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.31 70.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -117.18 141.77 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 m -86.63 79.2 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.48 -160.46 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -142.36 113.0 7.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.56 91.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.16 138.49 32.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t70 178.75 141.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.76 124.57 5.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.94 94.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 77.1 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.55 162.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -110.6 118.82 47.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.36 42.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.44 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.812 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.9 mm -59.3 137.79 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.17 103.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 151.68 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -145.19 99.64 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -70.18 -43.22 71.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.87 -177.79 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -172.19 150.81 2.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 171.63 154.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -40.74 159.36 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.72 -168.58 26.39 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.575 1.172 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.04 134.8 18.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.633 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -87.87 160.58 17.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.65 40.4 5.01 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.7 mm -86.73 121.68 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.641 ' HB2' HD11 ' A' ' 47' ' ' ILE . 81.6 mt -147.43 149.65 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.3 m-85 -113.84 91.41 21.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.98 -49.7 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 35.5 tt0 -113.35 117.65 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 36' ' ' PHE . 53.7 t -140.94 125.91 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.4 mtp180 -120.47 -168.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -70.69 -81.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.1 p -89.89 28.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.0 t -167.12 144.25 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.0 m -151.97 171.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -157.09 116.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -114.69 169.64 8.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.8 136.78 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.663 ' HB3' HD13 ' A' ' 102' ' ' ILE . 25.0 p90 -128.32 -172.42 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -142.88 162.18 45.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.95 152.45 41.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.0 124.98 9.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 -29.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.26 85.71 16.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 39.99 42.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.55 128.33 1.03 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.77 111.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.763 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.893 HG21 ' CE1' ' A' ' 61' ' ' TYR . 47.5 mm -57.35 134.01 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 27.2 mt -106.28 -23.42 12.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.923 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.39 -170.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.893 ' CE1' HG21 ' A' ' 58' ' ' ILE . 32.2 m-85 -143.56 173.97 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 10.5 tt0 -138.11 133.85 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.641 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.75 108.18 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.836 HG22 ' HB ' ' A' ' 77' ' ' VAL . 17.0 p -99.19 163.88 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -157.57 134.37 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -161.2 132.38 5.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -45.69 125.99 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.653 ' CB ' HG22 ' A' ' 97' ' ' VAL . 49.4 t30 -69.34 -9.61 54.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 17.1 p -151.84 92.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.507 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 1.1 t -176.7 179.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -71.66 116.36 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.16 167.66 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 172.61 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -167.16 165.74 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' ' 77' ' ' VAL . . . -129.05 117.23 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 m -72.46 87.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -91.62 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.04 135.48 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.77 130.05 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.923 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.0 mt -109.68 171.82 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 168.75 24.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -6.8 18.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.11 36.24 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.8 127.03 48.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -24.91 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 8.3 pt20 -145.82 164.58 31.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.746 ' HD2' HD21 ' A' ' 80' ' ' LEU . 33.8 t80 -146.0 125.1 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.2 m -90.27 128.45 36.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.724 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.36 140.52 37.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -140.98 141.87 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 81.18 55.17 3.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 89' ' ' ALA . 4.3 mt -114.83 173.81 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -97.86 130.02 29.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.97 175.19 11.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 44.67 45.5 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -153.7 165.62 35.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.653 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -112.65 138.27 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.695 ' CE1' HD21 ' A' ' 67' ' ' LEU . 6.6 m-85 -121.43 120.14 34.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -79.5 107.71 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 64' ' ' THR . 15.7 m-85 -92.11 112.31 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.461 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 4.3 ttt-85 -104.06 113.05 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 46' ' ' LEU . 18.8 mt -97.89 136.73 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -147.8 157.07 43.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.21 156.37 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 tt0 -119.25 123.71 44.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 3.6 p -123.91 -168.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -1.83 36.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -102.63 -36.04 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.0 -139.68 8.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.7 m95 -112.15 110.84 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.05 -152.73 5.94 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.8 164.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . . . -139.34 137.48 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.1 121.4 32.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.696 ' CG ' HD21 ' A' ' 99' ' ' LEU . 4.7 mt-10 -100.47 123.56 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.98 125.47 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 1.6 mt -93.57 144.75 25.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.0 p -145.89 125.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' SER . 7.4 t -84.55 142.8 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 p -97.77 114.54 26.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.5 t -174.46 167.58 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -87.42 -44.82 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 138.8 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -101.83 96.52 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -57.34 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.19 97.62 0.55 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.0 30.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.812 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 80.5 p -128.31 102.6 6.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.52 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -162.7 169.59 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.807 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.46 169.97 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.43 -59.45 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -42.07 136.69 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -150.98 -58.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 -168.41 23.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.9 114.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.35 162.42 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.05 140.14 4.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.13 151.64 23.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.05 179.6 35.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -64.04 119.71 57.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.7 m 61.44 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -120.46 153.37 56.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.44 29.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 177.12 8.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -104.19 136.89 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.24 101.73 4.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -93.72 73.3 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.61 82.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -79.49 -63.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.06 142.07 51.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.98 173.68 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.21 156.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.464 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.4 m -40.66 159.31 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.05 169.05 23.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.39 48.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.0 138.02 22.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -92.81 160.83 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 87.95 42.28 6.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.656 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -87.74 101.77 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.2 mm? -127.92 160.97 30.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.753 ' CE2' HG11 ' A' ' 118' ' ' VAL . 78.3 m-85 -123.26 93.36 48.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.9 tt0 -119.53 112.03 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.8 118.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . 22.4 mtp180 -107.48 -163.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -69.77 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 92' ' ' LEU . 18.9 p -87.76 25.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.5 p -163.3 117.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -128.43 165.74 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.1 ttm180 -149.87 109.31 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.648 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -112.29 168.86 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.73 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -132.84 171.54 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 36.3 p90 -161.95 176.88 10.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -133.15 161.65 62.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -74.98 152.61 41.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.58 85.44 16.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -34.34 3.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER 40.04 45.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.64 132.46 1.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -63.23 107.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.751 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -51.95 134.47 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 32.9 mt -109.79 -24.14 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.91 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.39 -170.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.751 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.6 m-85 -143.01 174.3 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 18.2 tt0 -140.47 139.68 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.802 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -131.18 114.9 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.628 HG22 HG22 ' A' ' 77' ' ' VAL . 25.6 p -108.15 128.4 54.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -125.04 134.3 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.77 144.13 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.0 mt -61.38 124.51 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.401 ' C ' ' CG2' ' A' ' 69' ' ' THR . 19.5 t30 -63.08 -19.35 64.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' THR . 7.9 p -146.96 97.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -179.87 176.3 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 14.5 p -80.22 -110.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 71' ' ' THR . . . 74.77 171.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.41 ' C ' HG23 ' A' ' 74' ' ' THR . 8.3 t-20 -104.93 -43.02 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 73' ' ' ASN . 46.0 p -150.89 -164.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.77 145.23 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.2 m -80.99 103.82 11.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 64' ' ' THR . 48.0 t -92.49 136.57 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -131.88 136.06 47.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -96.69 130.36 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.91 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.08 172.76 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -80.71 168.17 27.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.07 -4.59 15.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 m -116.95 34.12 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.72 126.98 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -25.76 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.694 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.9 pt20 -146.06 157.37 43.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.691 ' CD2' HG21 ' A' ' 63' ' ' ILE . 22.1 t80 -139.77 125.88 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.9 m -89.03 129.28 35.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.37 154.0 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 89' ' ' ALA . 33.1 p -155.71 152.89 29.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.16 64.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.02 159.48 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 18.9 ttmt -92.71 132.79 30.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.94 154.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 67.12 43.86 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.6 m -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 119' ' ' VAL . 2.6 t -127.29 134.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.735 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.7 m-85 -122.73 139.3 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.1 tm? -95.62 117.6 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.482 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 18.4 m-85 -100.03 112.24 24.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.3 ttp180 -104.29 112.25 25.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.462 HD11 HD11 ' A' ' 46' ' ' LEU . 22.8 mt -98.38 137.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.6 m -147.52 157.45 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.42 162.1 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 52.3 tt0 -124.04 118.69 27.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -123.67 -169.02 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.29 -17.27 59.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.7 mmmm -86.19 -35.11 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.2 -137.19 7.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 104' ' ' ALA . 94.2 m95 -110.99 111.15 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -75.87 -159.51 8.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 103' ' ' THR . 1.0 OUTLIER -47.38 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -141.08 133.2 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.82 122.39 33.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 99' ' ' LEU . 7.7 mt-10 -101.06 124.14 46.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.18 133.43 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD22 HG12 ' A' ' 97' ' ' VAL . 3.7 mt -98.27 148.14 23.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.2 p -152.07 121.23 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -80.32 153.25 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 41' ' ' THR . 11.4 p -104.17 114.69 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t -176.57 171.51 2.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.03 -27.66 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -79.38 173.1 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -61.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.5 t -163.31 164.27 24.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.92 85.8 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.23 17.61 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -120.05 96.07 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.06 121.28 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.85 135.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -175.28 166.94 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.32 139.35 2.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -176.21 117.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.39 105.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.63 101.62 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -147.87 94.1 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 pt -126.82 165.24 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.8 93.45 2.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 177.64 163.14 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.12 66.11 1.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -179.18 92.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.18 113.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -125.24 153.1 71.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.01 154.46 42.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.97 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mp -66.12 164.16 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.4 tp -68.69 -130.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.57 178.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 64.45 20.36 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.2 p -95.83 97.16 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -168.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.72 95.66 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.48 153.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -64.89 160.52 54.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.81 -166.41 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.01 133.66 16.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CG ' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 108.66 2.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -92.17 163.95 13.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.08 50.87 3.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.699 HG21 ' HB2' ' A' ' 116' ' ' ALA . 6.5 mm -96.99 104.27 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 47' ' ' ILE . 81.0 mt -122.76 149.8 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 70.8 m-85 -113.65 92.71 25.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.97 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -119.69 117.75 29.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 118' ' ' VAL . 50.1 t -139.53 117.23 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.6 mtp180 -109.03 -164.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -72.21 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.596 HG22 ' HD3' ' A' ' 94' ' ' PRO . 68.8 p -82.03 8.92 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 29.5 m -144.4 142.73 30.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.3 m -150.31 170.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -157.33 117.82 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -117.84 169.39 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.11 132.22 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.612 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.24 -178.72 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -136.09 162.34 57.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.04 152.16 40.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.94 122.41 7.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.2 -27.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.69 84.76 15.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 40.03 42.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.39 127.14 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.35 134.83 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 0.8 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.861 HG21 ' CE1' ' A' ' 61' ' ' TYR . 8.1 mm -83.76 126.47 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -95.36 -19.91 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.866 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 171.61 -172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.861 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.1 m-85 -139.05 174.21 10.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 6.1 tt0 -138.63 132.32 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.01 106.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.836 HG22 ' HB ' ' A' ' 77' ' ' VAL . 7.1 p -101.08 124.11 46.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -114.59 140.37 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 4.4 ptt180 -161.67 154.57 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.883 HD21 ' CE1' ' A' ' 98' ' ' TYR . 8.6 mt -79.45 111.23 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -39.81 -30.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 70' ' ' THR . 51.0 p -131.27 -160.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.527 HG21 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER 50.56 176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 70' ' ' THR . 68.9 p -95.5 156.13 16.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 74' ' ' THR . . . -171.78 126.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -54.9 92.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 73' ' ' ASN . 18.6 p 47.96 178.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 66' ' ' ARG . . . -104.79 111.07 23.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 m -68.1 96.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.9 OUTLIER -89.38 148.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -128.12 135.64 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.05 130.86 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.866 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.35 172.48 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 166.65 39.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -2.93 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -118.86 33.08 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.62 121.87 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -108.4 -5.97 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 12.6 pt20 -154.52 170.39 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' HD1' HD21 ' A' ' 80' ' ' LEU . 31.1 t80 -156.29 146.78 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.2 m -103.45 130.03 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.913 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.51 124.57 52.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 p -133.14 152.65 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.99 44.19 6.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -110.73 176.11 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.478 ' NZ ' ' HB3' ' A' ' 96' ' ' SER . 0.0 OUTLIER -109.84 134.79 20.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.96 149.84 37.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' PRO . 2.2 mt-10 69.57 55.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 67' ' ' LEU . 21.8 p -152.15 -170.55 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 119' ' ' VAL . 84.4 t -136.55 102.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.883 ' CE1' HD21 ' A' ' 67' ' ' LEU . 35.1 m-85 -96.61 140.02 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -107.99 131.58 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HE2' HG11 ' A' ' 118' ' ' VAL . 21.8 m-85 -110.5 113.49 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -97.69 109.71 22.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.7 mt -97.02 135.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.1 m -148.29 152.0 36.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -106.84 154.78 20.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.7 tt0 -114.8 124.31 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -122.65 -178.1 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.31 -6.44 43.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HB2' HG13 ' A' ' 27' ' ' VAL . 17.8 mmmt -99.01 -40.31 8.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 153.35 -147.23 16.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 90.0 m95 -105.41 119.69 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.54 -156.66 22.96 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -47.76 167.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.46 125.95 20.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.27 120.66 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.72 ' CB ' HD21 ' A' ' 99' ' ' LEU . 26.7 mt-10 -97.12 128.65 44.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.699 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.3 121.36 23.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.1 mt -93.82 142.65 27.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.613 HG11 ' HE2' ' A' ' 100' ' ' PHE . 9.1 p -148.35 124.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 97' ' ' VAL . 5.0 t -80.78 151.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' THR . 40.2 p -96.39 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.467 HG22 HG12 ' A' ' 119' ' ' VAL . 2.0 t -178.77 169.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.82 106.84 17.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.94 108.87 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -87.13 106.5 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.18 137.69 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.52 96.28 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.2 7.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -176.66 132.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.73 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.25 -166.8 31.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.1 17.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.683 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -88.58 160.66 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.62 44.79 4.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.826 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.5 mm -92.69 103.98 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.826 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -128.38 150.96 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 118' ' ' VAL . 67.7 m-85 -114.04 91.42 22.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.9 tt0 -113.11 114.54 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.572 HG11 ' CG2' ' A' ' 118' ' ' VAL . 65.4 t -141.4 114.73 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 43' ' ' SER . 8.8 mtp180 -108.34 -163.76 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.46 -77.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.0 p -101.92 34.06 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 2.9 p -168.95 113.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -125.0 169.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.1 ttm-85 -156.94 106.14 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD11 HD11 ' A' ' 102' ' ' ILE . 1.2 pt? -105.25 170.44 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.88 140.2 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.654 ' HB3' HD13 ' A' ' 102' ' ' ILE . 28.1 p90 -131.93 179.09 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -135.92 160.29 67.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.05 153.3 41.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.99 119.36 5.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.2 -28.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.43 85.44 16.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.75 2.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 42.29 44.46 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.7 134.26 2.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.2 128.32 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.917 HG21 ' CE1' ' A' ' 61' ' ' TYR . 26.8 mm -74.93 129.53 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.6 mp -96.95 -25.15 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.882 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.917 ' CE1' HG21 ' A' ' 58' ' ' ILE . 27.0 m-85 -137.15 174.14 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.9 tt0 -141.32 134.41 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.91 104.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 p -90.65 123.19 34.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -118.69 127.79 53.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 5.0 ptt180 -155.1 160.87 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 98' ' ' TYR . 5.5 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.81 128.99 46.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.882 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mt -107.45 172.66 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.58 168.62 26.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -4.25 15.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -118.96 33.41 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.44 121.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.03 -22.44 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.523 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -126.52 172.09 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.661 ' HD1' HD21 ' A' ' 80' ' ' LEU . 47.9 t80 -160.42 159.58 31.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.9 m -121.46 130.61 53.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.9 114.95 28.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -116.2 152.07 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 55.18 3.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 42' ' ' THR . 2.7 mt -121.46 141.89 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.66 129.32 83.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.2 39.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.76 48.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 75.1 m -157.4 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 119' ' ' VAL . 11.6 t -127.89 139.34 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.5 m-85 -124.44 136.63 54.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.6 tm? -97.4 119.59 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.489 ' N ' HD22 ' A' ' 99' ' ' LEU . 18.0 m-85 -104.14 112.18 25.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp85 -104.18 112.57 25.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 48' ' ' TRP . 18.8 mt -97.75 136.06 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -146.56 161.44 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -117.67 157.26 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 10.2 tt0 -119.95 125.54 48.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -123.6 -168.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -13.03 60.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.787 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.8 mmmt -95.74 -34.9 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.63 -144.11 12.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 73.9 m95 -105.36 122.54 46.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.3 -153.75 25.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -48.9 161.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.84 135.03 39.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.8 mt-10 -99.59 125.5 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -136.03 127.24 28.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.443 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.3 mt -92.59 150.38 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.572 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.3 p -152.62 130.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -89.88 154.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 121' ' ' THR . 7.9 p -107.69 113.82 27.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 108' ' ' LYS . 6.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.75 19.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -165.89 41.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.34 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.95 108.26 2.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -91.63 162.12 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 38.45 5.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.3 mm -87.03 111.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 47' ' ' ILE . 68.3 mt -134.53 149.87 50.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 77.4 m-85 -113.65 91.91 22.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.586 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -115.92 116.5 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 36' ' ' PHE . 54.6 t -140.48 124.57 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 mtp180 -119.12 -164.51 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.42 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 92' ' ' LEU . 67.2 p -88.22 20.2 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -155.44 137.97 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.2 m -147.62 174.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.6 ttm-85 -161.37 108.74 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.92 169.88 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.54 140.44 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.605 ' HB3' HD13 ' A' ' 102' ' ' ILE . 27.5 p90 -131.56 -179.59 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -136.76 162.18 57.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.92 152.76 41.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.05 123.03 7.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.57 84.68 15.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.76 3.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER 41.25 40.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.37 130.07 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -61.17 111.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.928 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -58.34 130.39 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.0 mt -102.47 -23.52 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.62 -170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.928 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -143.19 172.89 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.0 tt0 -138.4 139.42 38.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.878 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -132.05 116.99 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.1 p -113.23 129.92 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -125.31 129.99 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.606 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 10.6 ptt85 -162.01 138.43 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -97.22 131.74 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.3 mt -111.46 172.26 6.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.54 168.27 28.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.06 -5.93 17.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.85 32.57 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.15 117.0 33.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.35 -22.44 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -142.94 167.31 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.1 t80 -148.9 149.85 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 m -107.18 122.91 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.07 114.72 29.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -116.31 158.59 23.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 63.76 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -125.01 161.47 26.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.6 ttmt -90.13 125.95 58.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -75.05 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 59.68 45.04 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.27 -177.19 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 119' ' ' VAL . 23.6 t -122.87 127.77 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.686 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.7 m-85 -116.35 131.14 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -96.58 122.21 39.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.2 m-85 -102.35 112.85 25.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.2 ttp180 -101.4 109.01 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.701 HD11 HD11 ' A' ' 46' ' ' LEU . 23.8 mt -97.15 137.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.5 m -148.33 155.8 41.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -112.43 156.65 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 2.0 tt0 -117.21 126.11 52.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 p -123.96 -168.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.5 -14.08 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.3 mmmm -92.92 -37.03 12.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.54 -137.3 6.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 83.5 m95 -110.66 115.81 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.431 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.26 -144.33 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -61.22 169.23 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.96 133.13 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.31 121.75 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' A' ' 99' ' ' LEU . 51.9 mt-10 -97.47 127.35 43.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.66 120.0 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.65 142.11 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.553 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 p -146.46 125.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -84.91 145.77 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -98.23 115.37 28.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.9 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.01 163.98 34.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.61 -173.43 42.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 139.98 24.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.93 110.86 3.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -92.76 161.79 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 49.88 3.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.598 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mm -94.51 120.13 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 47' ' ' ILE . 62.7 mt -142.6 151.72 41.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG11 ' A' ' 118' ' ' VAL . 76.6 m-85 -114.91 91.45 26.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.01 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ARG . 21.8 tt0 -113.82 117.89 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 ' CG1' ' A' ' 44' ' ' VAL . 69.1 t -140.71 119.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.1 mmt180 -106.7 -165.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -78.54 -74.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.424 HG22 ' HD3' ' A' ' 94' ' ' PRO . 72.6 p -90.21 29.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 t -175.67 153.89 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.946 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.2 m -152.2 175.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.7 ttm-85 -155.74 104.03 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -104.81 170.45 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.24 150.36 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 102' ' ' ILE . 33.3 p90 -140.14 -176.09 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.51 161.64 57.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 151.56 39.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.04 124.12 8.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.83 -28.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.6 85.7 17.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.8 3.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.49 44.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.58 134.95 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.92 111.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.92 136.83 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 20.4 mt -110.58 -23.9 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.51 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.742 ' CE1' HG21 ' A' ' 58' ' ' ILE . 26.6 m-85 -141.88 168.99 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 57.8 tt0 -131.87 132.52 43.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.616 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.89 105.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.443 HG22 HE21 ' A' ' 62' ' ' GLN . 17.2 p -99.37 121.17 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -116.6 139.17 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 28.5 ptt180 -160.31 153.43 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 97' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.09 130.59 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -109.77 171.35 7.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.16 168.7 25.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -7.29 18.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -115.44 34.41 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.77 120.12 39.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -13.56 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.504 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.3 pt20 -154.15 165.12 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HD1' HD21 ' A' ' 80' ' ' LEU . 62.6 t80 -143.8 152.81 41.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.8 m -115.1 129.0 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.27 140.1 38.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -144.34 136.2 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.92 49.14 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mt -114.87 166.17 12.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 5.3 ttmm -92.84 127.57 47.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.528 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.95 156.75 43.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.07 56.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 69.7 m -164.33 -175.34 3.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 119' ' ' VAL . 8.3 t -123.36 138.78 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.599 ' CE1' HD21 ' A' ' 67' ' ' LEU . 21.9 m-85 -126.53 133.71 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.5 tm? -95.46 121.12 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.634 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 30.7 m-85 -107.37 112.72 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.2 ttp85 -103.71 114.69 29.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 48' ' ' TRP . 26.5 mt -97.79 139.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.6 m -147.9 160.25 42.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.3 160.35 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -124.26 120.45 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.46 -168.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 3.9 ptm180 -78.21 2.6 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.3 mppt? -102.97 -46.29 4.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.7 -121.4 1.05 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.8 m95 -128.82 109.27 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -73.73 -163.77 9.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.23 164.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.54 137.74 42.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.7 120.78 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 9.6 mt-10 -97.1 124.32 41.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.598 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.04 123.51 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.474 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.1 mt -91.4 154.34 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.739 HG11 ' CE1' ' A' ' 36' ' ' PHE . 4.7 p -156.53 125.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -81.98 147.7 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 121' ' ' THR . 4.4 p -101.49 112.65 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 120' ' ' THR . 8.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.98 175.5 11.15 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.1 -167.85 40.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.02 136.33 20.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.97 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -89.76 163.15 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.63 45.17 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.8 mm -92.32 117.11 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.803 ' O ' HD13 ' A' ' 47' ' ' ILE . 94.8 mt -142.27 155.15 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.635 ' CE2' HG11 ' A' ' 118' ' ' VAL . 84.1 m-85 -118.1 93.5 44.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.599 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ARG . 48.1 tt0 -119.83 109.59 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -138.74 113.69 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp85 -102.99 -162.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -71.48 -86.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 92' ' ' LEU . 59.2 p -87.45 24.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.435 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.1 p -162.42 114.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -125.99 163.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.2 ttm-85 -149.67 113.55 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -114.04 169.74 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.08 160.04 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 33.6 p90 -149.62 178.72 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -134.35 162.34 58.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.07 150.81 38.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -74.99 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.47 -28.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.04 85.48 18.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 43.01 46.17 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.53 129.24 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.19 113.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.839 HG21 ' CE1' ' A' ' 61' ' ' TYR . 45.0 mm -58.7 134.0 23.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 31.5 mt -108.03 -23.14 12.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.891 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -171.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.839 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.5 m-85 -142.35 174.1 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.6 tt0 -138.45 133.76 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.16 106.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -102.17 120.84 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.517 ' CE1' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -123.23 136.57 54.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -161.97 144.21 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.81 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -96.59 127.96 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.891 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -105.91 171.05 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.01 168.62 26.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 -9.25 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 p -112.55 33.95 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -112.38 -23.47 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 5.6 pt20 -149.72 168.81 22.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' HD2' HD21 ' A' ' 80' ' ' LEU . 23.9 t80 -151.17 137.14 18.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.6 m -101.93 125.36 48.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.09 123.77 45.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.3 p -122.79 156.52 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.52 63.08 2.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -128.11 171.41 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -102.77 130.17 24.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.7 39.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.51 43.31 3.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 67' ' ' LEU . 20.0 m -149.65 -177.2 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 119' ' ' VAL . 9.8 t -126.26 138.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.81 ' CE2' HD21 ' A' ' 67' ' ' LEU . 35.8 m-85 -126.48 128.42 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -92.2 116.3 28.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 25.8 m-85 -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.509 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.9 ttt180 -103.55 112.08 24.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 48' ' ' TRP . 29.4 mt -97.98 138.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' GLU . 10.7 m -148.55 157.7 43.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.25 158.3 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.3 tt0 -122.42 122.93 40.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 p -123.61 -167.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.76 -17.65 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.592 ' HB2' HG13 ' A' ' 27' ' ' VAL . 12.7 mmmm -87.19 -43.21 12.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 152.65 -135.14 4.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 88.0 m95 -112.03 117.05 31.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.38 -152.0 7.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -54.85 163.68 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -134.95 135.65 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.9 122.14 37.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.678 ' HB3' HD21 ' A' ' 99' ' ' LEU . 24.7 mt-10 -99.63 124.33 44.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.44 122.11 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.7 mt -91.23 144.87 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.3 p -148.74 126.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -85.86 149.91 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 41' ' ' THR . 6.0 p -99.47 112.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.47 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 108' ' ' LYS . 10.9 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.92 179.68 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.74 -171.47 34.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 137.36 21.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.05 110.74 3.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -90.67 160.97 15.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 50.83 3.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 116' ' ' ALA . 7.5 mm -95.25 123.75 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 47' ' ' ILE . 96.6 mt -147.61 151.33 36.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 118' ' ' VAL . 79.3 m-85 -114.77 91.42 25.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.582 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ARG . 23.9 tt0 -113.6 117.64 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG13 ' CG1' ' A' ' 44' ' ' VAL . 63.4 t -141.27 123.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 mmt85 -114.4 -169.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -70.72 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 94' ' ' PRO . 75.7 p -89.04 32.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 69.7 p -174.78 151.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 89' ' ' ALA . 5.2 m -153.68 178.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.6 ttm-85 -159.7 103.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -104.44 170.42 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.74 151.87 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 25.6 p90 -143.51 -174.4 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -140.68 161.55 53.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.96 150.62 38.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.97 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.99 -28.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.65 85.71 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 45.74 44.14 10.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.28 127.97 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.88 111.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.767 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.2 mm -57.82 135.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 28.8 mt -109.15 -24.55 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.17 -165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.767 ' HE1' HG21 ' A' ' 58' ' ' ILE . 16.4 m-85 -147.81 174.3 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.2 tt0 -139.56 132.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.812 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.3 102.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -88.77 121.11 30.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -113.44 132.27 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 98' ' ' TYR . 8.4 ptm180 -162.09 -174.79 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.87 133.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.927 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.9 mt -114.24 167.26 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -74.94 167.72 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -118.56 34.83 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.88 123.33 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -106.85 -20.4 13.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.8 pt20 -149.61 162.89 39.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.682 ' CD2' HG21 ' A' ' 63' ' ' ILE . 69.3 t80 -142.87 149.57 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 m -110.61 127.84 55.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.65 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.15 140.65 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 p -141.34 138.0 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.56 54.58 2.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 5.1 mt -115.91 168.12 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 ttmm -100.62 128.08 30.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.759 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.02 43.23 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.458 ' HB3' HD22 ' A' ' 67' ' ' LEU . 2.0 m -152.63 169.88 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 119' ' ' VAL . 4.2 t -111.86 129.87 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.797 ' CE1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 -114.02 136.06 53.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.7 tm? -98.4 116.73 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.2 m-85 -102.24 112.85 25.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 7.4 ttt-85 -105.71 115.65 30.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 46' ' ' LEU . 18.7 mt -99.95 139.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.5 m -148.24 159.42 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -113.18 160.19 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 37.1 tt0 -123.61 121.91 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -123.68 -167.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -74.87 -12.36 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 27' ' ' VAL . 1.7 mmmm -91.51 -44.04 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.1 -127.99 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 87.8 m95 -120.42 114.1 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.41 -156.5 9.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -51.21 163.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -136.07 140.37 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.2 121.25 36.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 121.64 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.56 127.49 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.4 mt -93.46 148.91 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.5 p -153.07 126.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.58 151.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -104.72 111.47 24.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.97 178.41 7.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.17 -169.21 34.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.03 137.16 21.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 110.79 3.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -91.36 161.39 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 42.49 6.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.888 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.3 mm -88.2 103.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.888 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.7 mm? -129.41 158.35 39.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 118' ' ' VAL . 81.6 m-85 -120.92 93.54 48.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.98 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.8 tt0 -118.9 111.95 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -139.77 119.36 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.9 mtp180 -107.15 -161.5 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.0 OUTLIER -69.06 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 92' ' ' LEU . 45.6 p -77.33 5.37 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -140.27 129.45 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.049 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -139.76 163.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.3 ttm180 -147.43 115.08 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -116.24 169.7 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -133.94 169.06 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.547 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 34.2 p90 -160.82 -176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.73 162.74 44.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 154.14 42.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.568 1.825 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.0 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.01 -29.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 85.0 16.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -36.86 2.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.0 42.34 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.99 129.04 1.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -58.17 129.28 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 ' CE1' ' A' ' 61' ' ' TYR . 23.3 mm -76.13 134.59 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.5 -23.72 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.14 -171.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -137.87 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.4 tt0 -139.07 131.92 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.52 104.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -93.18 125.87 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.65 124.36 49.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 28.2 ptt180 -151.15 153.12 34.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.7 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -92.62 129.05 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.953 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -107.84 172.2 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.1 167.48 35.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.5 p -118.71 34.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.68 132.8 44.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -24.37 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 47' ' ' ILE . 7.0 pt20 -145.98 166.23 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.621 ' HD2' HD21 ' A' ' 80' ' ' LEU . 17.5 t80 -147.16 137.7 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.5 m -100.04 131.01 46.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.787 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.22 144.95 31.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 p -148.08 146.22 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.56 50.23 4.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.667 ' O ' HG22 ' A' ' 42' ' ' THR . 1.2 mt -118.35 161.97 19.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -92.62 129.28 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.02 162.08 37.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 64.06 45.71 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 57.5 m -152.77 -175.36 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 119' ' ' VAL . 13.5 t -128.07 132.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 67' ' ' LEU . 25.6 m-85 -119.82 133.76 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.5 tm? -94.59 117.65 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 19.5 m-85 -100.16 112.56 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.8 ttp180 -103.0 112.3 25.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' A' ' 31' ' ' PRO . 26.5 mt -98.41 136.73 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -114.28 157.12 23.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.8 tt0 -118.71 125.41 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.429 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.4 p -123.88 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -78.56 -4.7 50.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.705 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -103.5 -30.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.39 -143.06 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 79.6 m95 -108.86 120.42 42.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.67 -153.04 17.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -50.77 165.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.89 138.06 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.15 121.9 37.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.56 ' CB ' HD21 ' A' ' 99' ' ' LEU . 10.3 mt-10 -99.64 123.58 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.11 127.06 33.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.52 140.58 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.1 p -145.27 123.44 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 97' ' ' VAL . 3.2 t -80.69 154.65 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -103.31 111.25 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 119' ' ' VAL . 2.9 t . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 3.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.73 8.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.31 -168.1 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.04 133.07 16.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.561 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.96 109.62 2.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -89.43 164.3 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.46 49.81 4.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.4 mm -97.08 109.36 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' ILE . 70.5 mt -129.92 149.23 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 64.4 m-85 -113.93 92.01 24.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.95 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.3 tt0 -113.91 114.74 26.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 36' ' ' PHE . 63.7 t -140.88 110.53 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 mtp85 -104.62 -164.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -69.01 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.426 HG22 ' HD3' ' A' ' 94' ' ' PRO . 12.3 p -90.57 24.82 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.1 p -159.07 130.96 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.801 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -141.12 174.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.2 ttm-85 -162.05 105.58 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 102' ' ' ILE . 1.1 pt? -104.48 169.54 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.22 130.89 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.742 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.7 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -135.3 162.41 57.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 149.92 37.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.02 120.35 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.77 -28.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.34 84.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 39.47 42.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.36 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.8 mm -49.83 131.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.863 HG21 ' CE1' ' A' ' 61' ' ' TYR . 10.8 mm -84.02 125.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -97.53 -20.46 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.22 -169.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.863 ' CE1' HG21 ' A' ' 58' ' ' ILE . 28.8 m-85 -142.4 173.32 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 32.8 tt0 -138.57 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.9 119.12 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -115.23 129.96 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -128.34 133.13 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 33.8 ptt180 -162.08 135.7 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.669 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.2 t -97.32 126.24 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.963 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -106.8 171.08 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.39 167.35 37.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 -4.11 14.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 35.18 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.66 121.75 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -15.16 14.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.435 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -149.1 165.63 31.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.9 t80 -149.86 143.32 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.3 m -102.15 121.55 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.801 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.36 115.56 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.3 p -114.26 163.32 15.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.52 65.14 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -124.55 162.07 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 10.9 ttmt -92.13 125.76 55.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.93 163.57 35.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 60.87 44.04 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -151.8 -178.63 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.938 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 119' ' ' VAL . 25.7 t -122.34 130.82 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.669 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.3 m-85 -117.21 127.42 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.6 OUTLIER -93.55 113.75 25.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 11.7 m-85 -95.61 116.51 28.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.41 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 2.8 ttp180 -105.86 111.25 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.742 HD13 ' HB3' ' A' ' 48' ' ' TRP . 21.6 mt -97.15 137.15 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -148.06 154.57 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -108.67 157.33 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 43.3 tt0 -116.98 120.5 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.5 p -122.98 178.07 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -62.04 -20.11 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -84.57 -38.98 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.99 -132.54 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.5 m95 -114.24 116.92 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.427 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -81.79 -154.99 13.88 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -49.22 167.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -138.96 132.7 30.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -90.52 120.38 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.853 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp0 -96.32 125.89 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.509 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -136.71 120.11 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -87.9 145.92 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 p -150.47 127.81 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -84.58 158.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 41' ' ' THR . 2.1 p -114.0 114.63 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG13 ' HB3' ' A' ' 108' ' ' LYS . 6.5 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 157.37 42.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.437 1.756 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.41 -171.23 21.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -75.04 141.08 26.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.95 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -90.54 160.35 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 88.45 44.87 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.6 mm -89.08 101.71 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.4 mm? -126.75 151.05 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE2' HG11 ' A' ' 118' ' ' VAL . 86.8 m-85 -115.19 89.42 20.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.712 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.6 tt0 -124.3 107.75 11.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.36 115.14 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' SER . 23.1 mtp180 -104.52 -162.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -73.25 -83.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 92' ' ' LEU . 62.4 p -88.66 26.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 44.6 m -166.43 118.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -128.67 167.6 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.5 ttm-85 -155.66 115.21 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -113.34 169.93 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.75 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -137.61 139.74 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 32.1 p90 -129.29 -178.73 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -135.45 162.63 56.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.98 152.36 40.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.772 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.76 -31.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.51 86.0 17.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.23 42.96 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.16 126.63 1.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.26 127.65 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' TYR . 30.5 mm -73.51 133.6 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 106' ' ' THR . 3.7 mp -102.74 -27.12 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 178.24 -169.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.718 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.1 m-85 -142.62 172.53 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.1 tt0 -137.72 132.97 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.92 107.45 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.454 ' CG2' ' OE1' ' A' ' 62' ' ' GLN . 15.6 p -98.36 125.98 43.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -118.16 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.708 HH11 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -161.9 156.24 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 98' ' ' TYR . 13.3 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -88.69 127.41 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -108.16 172.26 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.66 168.17 28.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 -5.04 16.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.32 34.87 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.42 130.36 47.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 -24.85 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.75 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -145.53 159.25 43.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.652 ' HD2' HD21 ' A' ' 80' ' ' LEU . 19.3 t80 -143.59 135.79 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.0 m -93.42 124.21 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.797 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.98 114.92 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -116.94 156.94 26.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.37 52.69 5.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 98' ' ' TYR . 2.7 mt -120.11 160.39 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.3 130.83 29.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.03 161.1 39.21 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 66.2 44.21 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 67' ' ' LEU . 16.0 m -152.34 -174.44 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 119' ' ' VAL . 7.2 t -127.76 134.59 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.0 m-85 -122.08 131.21 53.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -94.73 119.01 32.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.669 ' N ' HD22 ' A' ' 99' ' ' LEU . 17.4 m-85 -102.06 112.1 24.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 7.0 ttp180 -103.22 110.44 22.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.628 HG22 ' HG3' ' A' ' 31' ' ' PRO . 24.0 mt -97.61 136.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 112' ' ' GLU . 18.5 m -148.18 154.33 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -106.15 161.04 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.4 tt0 -124.63 121.54 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.515 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.3 p -121.46 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.412 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 21.4 ptt180 -75.91 0.01 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.524 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.5 mppt? -99.92 -48.05 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 161.02 -119.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 93.0 m95 -130.61 108.21 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -72.6 -159.38 4.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -51.02 167.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.486 ' CB ' ' OG1' ' A' ' 103' ' ' THR . . . -138.34 144.98 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -99.04 118.94 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.744 ' CG ' HD21 ' A' ' 99' ' ' LEU . 2.0 mt-10 -98.41 120.52 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.502 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.8 124.17 27.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 3.3 mt -91.3 141.22 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.597 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.0 p -145.75 126.25 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -80.62 148.19 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 41' ' ' THR . 4.1 p -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.763 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 108' ' ' LYS . 1.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.66 22.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.65 -169.29 45.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.02 136.03 19.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.709 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.96 107.51 2.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -89.07 163.27 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.77 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.3 mm -89.39 104.12 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -125.93 155.14 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 61.8 m-85 -118.3 91.51 40.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.01 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' ARG . 42.0 tt0 -113.78 113.02 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.604 HG11 ' CG2' ' A' ' 118' ' ' VAL . 54.0 t -140.06 118.7 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.6 mtp180 -114.76 -163.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.2 p -68.34 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 92' ' ' LEU . 68.2 p -89.93 24.05 2.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -157.68 129.68 7.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -142.35 172.52 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.3 ttm-85 -160.7 106.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -106.35 169.43 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -137.15 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.646 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -133.47 174.75 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.19 160.55 66.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.02 151.76 39.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.483 1.781 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.02 123.19 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.62 -32.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.19 83.98 16.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -74.95 -34.94 3.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.8 49.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.86 109.44 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 57' ' ' ILE . 1.2 mp -45.22 107.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.925 HG21 ' CE1' ' A' ' 61' ' ' TYR . 34.6 mm -52.88 125.35 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.7 mt -98.24 -24.09 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.94 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.26 -170.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.925 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -142.25 172.75 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 34.5 tt0 -137.37 135.35 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.705 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -126.43 121.32 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -117.0 123.59 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -124.02 128.32 49.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' LEU . 26.7 ptt180 -161.55 137.75 8.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.94 128.93 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.94 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -107.96 172.44 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.58 168.88 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.01 -7.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -114.16 33.41 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.968 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.47 118.63 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -16.75 14.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 47' ' ' ILE . 3.1 pt20 -147.21 157.91 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.818 ' HD1' HD21 ' A' ' 80' ' ' LEU . 67.3 t80 -143.8 134.4 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -93.0 117.09 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.821 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -99.45 114.14 26.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -113.09 158.15 20.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.81 3.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.795 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -122.51 159.04 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.6 ttmm -89.46 125.08 62.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.99 160.01 40.72 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.99 41.3 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -148.45 -174.32 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 119' ' ' VAL . 10.7 t -127.76 125.22 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.674 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.4 m-85 -111.36 129.33 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -93.42 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.535 ' N ' HD22 ' A' ' 99' ' ' LEU . 14.3 m-85 -99.74 112.87 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.4 ttp180 -103.78 111.3 23.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.646 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.1 mt -97.54 138.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.6 m -148.49 157.1 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -110.49 160.29 16.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 38.6 tt0 -123.55 121.62 36.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -123.09 -169.32 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.34 -13.52 60.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.1 mmmt -91.25 -36.82 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.3 -129.28 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.8 m95 -118.3 115.75 25.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.411 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -76.79 -153.38 5.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -53.27 169.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.96 134.14 34.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.77 118.66 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.591 ' CG ' HD21 ' A' ' 99' ' ' LEU . 8.3 mt-10 -96.15 128.28 42.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.52 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -137.52 125.64 22.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.57 145.89 24.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' HG11 ' A' ' 39' ' ' VAL . 7.3 p -151.13 126.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 97' ' ' VAL . 3.7 t -86.94 151.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' PRO . 3.9 p -98.87 110.32 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.563 HG22 HG12 ' A' ' 119' ' ' VAL . 2.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.05 166.29 29.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.35 -164.07 39.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.76 18.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 108.23 2.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -91.77 163.47 14.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.32 6.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.825 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.2 mm -88.5 104.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.9 mm? -128.88 158.35 39.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 118' ' ' VAL . 72.5 m-85 -121.33 92.87 48.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 45' ' ' ARG . 59.0 tt0 -118.42 112.41 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.32 115.76 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' SER . 17.5 mtp180 -104.71 -162.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.2 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 92' ' ' LEU . 74.9 p -89.34 27.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 3.3 p -166.97 115.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -126.41 165.48 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.33 117.2 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -119.31 168.51 10.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.849 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -135.59 157.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.526 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 37.1 p90 -146.5 175.37 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.74 163.43 50.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 151.77 39.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.04 119.15 5.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . . . -40.09 -30.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.38 84.19 17.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.23 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.53 126.27 2.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.32 123.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 ' CE1' ' A' ' 61' ' ' TYR . 36.9 mm -68.25 127.78 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.0 mp -93.63 -27.04 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.32 -169.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.843 ' CE1' HG21 ' A' ' 58' ' ' ILE . 15.2 m-85 -141.41 170.8 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.7 tt0 -134.74 131.89 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.657 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.37 111.58 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -107.76 132.12 53.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -127.61 139.0 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 1.4 ptm180 -161.66 154.57 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 98' ' ' TYR . 11.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.24 133.0 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.951 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mt -117.51 172.11 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.74 165.65 47.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 0.15 9.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -121.47 34.25 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.27 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -102.67 -23.94 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.849 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.3 pt20 -146.17 163.3 35.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' HD2' HD21 ' A' ' 80' ' ' LEU . 3.3 t80 -149.01 126.36 11.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -83.85 127.39 33.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.723 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.86 115.24 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.1 p -116.67 154.88 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.21 50.77 5.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 2.9 mt -117.32 154.4 31.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' OG ' ' A' ' 96' ' ' SER . 12.9 ttpt -85.09 129.52 55.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.0 Cg_endo -75.04 155.04 42.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 65.96 44.22 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.601 ' O ' HG22 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -141.47 -169.09 2.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 119' ' ' VAL . 66.0 t -134.98 103.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.723 ' CE1' HD21 ' A' ' 67' ' ' LEU . 18.0 m-85 -96.05 126.56 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -92.19 122.43 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.5 m-85 -101.95 113.16 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.4 ttp180 -102.68 111.79 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.504 HG22 ' CG ' ' A' ' 31' ' ' PRO . 37.3 mt -99.82 139.29 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.3 m -148.51 162.06 40.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -120.13 155.28 33.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.4 tt0 -121.08 126.33 49.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 p -121.96 -170.23 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -76.74 -2.21 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 mmmt -105.45 -43.6 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.1 -163.45 31.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.6 m95 -89.78 119.37 30.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.19 -152.35 7.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -52.92 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -142.73 128.9 19.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -91.61 118.91 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.568 ' CB ' HD21 ' A' ' 99' ' ' LEU . 5.4 mt-10 -97.68 126.43 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -133.38 122.3 23.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 97' ' ' VAL . 1.8 mt -91.47 139.2 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 36' ' ' PHE . 9.1 p -144.68 124.63 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 97' ' ' VAL . 6.7 t -86.27 146.99 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.7 p -96.87 117.31 30.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.365 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 4.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.25 18.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.88 -170.19 46.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.97 135.57 19.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -92.69 163.38 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 42.47 6.06 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.616 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -90.21 99.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.3 mm? -124.68 150.21 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -114.47 90.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.99 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ARG . 26.4 tt0 -112.32 116.89 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 36' ' ' PHE . 73.4 t -142.91 129.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' SER . 13.6 mmt-85 -128.18 -169.76 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -66.25 -60.52 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 92' ' ' LEU . 63.3 p -123.49 40.08 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.8 p -171.79 97.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -115.1 174.72 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ttm-85 -164.44 104.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -101.37 169.36 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.52 132.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' A' ' 102' ' ' ILE . 30.3 p90 -124.18 -176.83 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -140.97 162.96 45.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 149.92 37.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.05 120.03 5.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.73 -29.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.59 85.66 17.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.02 -34.6 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.13 42.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.0 150.31 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -78.5 106.54 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.716 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.91 116.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 19.9 mt -95.76 -25.87 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.933 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.36 -175.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.716 ' HE1' HG21 ' A' ' 58' ' ' ILE . 10.3 m-85 -134.46 175.15 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.6 tt0 -140.21 133.96 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -126.23 111.02 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -103.81 129.28 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -126.52 125.41 41.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -159.61 135.21 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.64 132.86 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.933 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -113.35 171.75 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 166.56 41.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.705 ' HB3' HG22 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.7 p -119.15 33.38 5.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.02 119.23 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.32 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.454 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -150.73 159.34 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.678 ' HD1' HD21 ' A' ' 80' ' ' LEU . 42.3 t80 -144.99 148.65 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.2 m -111.18 123.29 49.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.802 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.83 131.45 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.1 p -124.04 151.83 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.52 55.8 8.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -113.15 145.8 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.71 123.93 88.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.07 164.22 33.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 51.74 35.52 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -134.24 -172.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 119' ' ' VAL . 37.8 t -125.88 126.66 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.677 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.3 m-85 -116.89 127.02 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -94.29 111.59 23.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.5 m-85 -93.76 113.04 25.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.424 ' CD ' ' CG ' ' A' ' 115' ' ' GLU . 2.9 ttp85 -102.83 111.23 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 46' ' ' LEU . 24.6 mt -98.79 137.6 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.7 m -148.1 159.64 43.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -119.56 140.68 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -103.84 125.87 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 4.9 p -124.04 -168.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -73.56 -9.62 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -97.06 -37.01 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.72 -138.69 7.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 89.8 m95 -109.37 111.94 23.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.88 -150.14 4.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -52.25 166.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.29 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.61 117.37 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.652 ' HB3' HD21 ' A' ' 99' ' ' LEU . 12.5 mt-10 -97.9 124.48 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.98 124.76 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.1 mt -92.34 135.73 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.1 p -138.56 125.84 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -89.04 139.09 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 41' ' ' THR . 24.0 p -92.65 122.76 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 120' ' ' THR . 7.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.05 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.14 -171.11 24.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.02 133.51 16.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.597 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 107.66 2.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -89.21 161.17 16.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.48 43.55 5.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.0 mm -91.85 104.16 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.1 mm? -128.16 155.39 44.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 81.1 m-85 -118.83 93.15 45.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.0 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' ARG . 47.8 tt0 -117.36 111.17 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.4 118.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp180 -109.64 -163.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.1 p -67.54 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 92' ' ' LEU . 49.1 p -88.14 25.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.5 p -160.65 116.65 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -129.91 167.16 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.8 ttm-85 -151.38 105.24 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -106.15 169.59 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.04 154.57 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' HB3' HD13 ' A' ' 102' ' ' ILE . 35.8 p90 -144.34 179.96 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -136.79 162.65 54.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.04 150.06 37.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.03 120.35 6.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.75 -27.48 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.3 86.71 18.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.04 -31.79 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 18.0 p30 38.19 36.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.83 130.51 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 106' ' ' THR . 1.0 OUTLIER -57.28 133.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 61' ' ' TYR . 18.0 mm -80.87 130.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -98.68 -22.13 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.25 -171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.1 m-85 -140.29 167.38 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 31.7 tt0 -132.47 135.37 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -126.14 108.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 p -104.05 133.71 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -131.76 133.8 45.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LEU . 19.1 ptt85 -162.53 133.68 5.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.681 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.9 t -90.99 137.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.9 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -119.21 171.97 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.83 168.14 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -9.1 20.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -113.01 32.38 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.28 124.18 44.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -26.77 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.0 pt20 -144.73 161.95 37.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.69 ' HD1' HD21 ' A' ' 80' ' ' LEU . 28.6 t80 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.3 m -115.63 124.65 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.91 114.48 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -113.94 152.52 30.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.96 58.06 4.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' THR . 1.6 mt -118.73 153.51 34.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -83.48 125.04 74.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 120' ' ' THR . 18.4 Cg_endo -74.92 161.7 38.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 62.62 38.31 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -145.87 -175.93 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.073 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 119' ' ' VAL . 11.3 t -125.42 129.28 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.681 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.1 m-85 -114.6 128.06 56.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.723 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -90.13 110.6 21.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.599 ' N ' HD22 ' A' ' 99' ' ' LEU . 11.5 m-85 -93.93 112.76 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 4.9 ttp-105 -104.14 112.84 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 48' ' ' TRP . 35.0 mt -99.22 138.59 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.2 m -148.28 160.39 43.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.706 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.46 152.24 33.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.1 tt0 -114.19 123.97 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 57' ' ' ILE . 2.0 p -123.87 -168.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -78.88 1.7 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HB2' HG13 ' A' ' 27' ' ' VAL . 9.3 mmmt -108.49 -31.41 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.0 -135.32 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.4 m95 -114.27 112.83 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.27 -152.93 6.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -47.74 166.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -140.44 134.97 31.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -94.77 118.88 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.723 ' CG ' HD21 ' A' ' 99' ' ' LEU . 3.2 mt-10 -97.69 126.11 42.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -135.26 128.07 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.85 141.32 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 8.8 p -146.6 121.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.22 147.26 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 94' ' ' PRO . 20.8 p -98.6 116.66 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 119' ' ' VAL . 2.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.721 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.1 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.89 -167.7 30.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.16 17.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -87.76 160.37 18.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.69 45.06 5.01 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.9 mm -91.8 115.57 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.807 ' O ' HD13 ' A' ' 47' ' ' ILE . 91.0 mt -140.52 157.55 45.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 118' ' ' VAL . 94.0 m-85 -121.17 93.72 48.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.5 tt0 -117.92 111.26 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.14 114.07 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -101.47 -161.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -76.06 -81.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.456 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.1 p -87.28 23.05 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 72.2 m -165.64 128.64 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.678 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -137.44 168.72 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 38' ' ' GLU . 14.5 ttm180 -152.45 109.11 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.595 HD11 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -109.04 169.57 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -135.1 165.45 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 29.3 p90 -159.19 178.48 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -135.23 162.89 54.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.99 152.58 40.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.06 124.87 8.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.79 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.77 84.98 21.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 41.99 45.24 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.55 127.67 1.47 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.35 130.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.981 HG21 ' CE1' ' A' ' 61' ' ' TYR . 13.7 mm -78.33 129.59 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 179.0 -162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.981 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.2 m-85 -148.96 171.28 16.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 25.3 tt0 -138.07 132.98 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.726 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.59 107.63 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 100' ' ' PHE . 11.6 p -98.27 160.04 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 p-80 -156.85 131.63 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -162.08 131.15 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.732 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -85.33 131.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mt -113.27 170.6 8.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.03 166.5 41.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -74.99 -1.55 11.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.02 35.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.87 126.97 51.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 -27.71 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 10.4 pt20 -142.56 162.06 36.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.709 ' HD1' HD21 ' A' ' 80' ' ' LEU . 43.4 t80 -142.53 150.62 40.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.6 m -107.9 124.97 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.21 118.4 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -118.41 154.23 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.71 58.35 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -119.83 164.1 16.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 6.1 ttmm -92.39 128.05 46.27 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.1 Cg_endo -74.99 161.99 37.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 58.2 43.72 20.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.546 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -150.52 167.95 25.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 119' ' ' VAL . 3.0 t -109.61 129.02 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.732 ' CE1' HD21 ' A' ' 67' ' ' LEU . 7.1 m-85 -114.73 123.87 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -86.01 109.64 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.532 ' CD2' HD22 ' A' ' 46' ' ' LEU . 10.8 m-85 -93.65 114.49 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp180 -105.85 113.47 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.595 HD11 HD11 ' A' ' 46' ' ' LEU . 22.7 mt -98.77 138.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.6 m -148.93 159.74 43.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -115.03 159.23 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.3 tt0 -120.34 125.51 48.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -123.86 -170.84 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -80.56 2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HB2' HG13 ' A' ' 27' ' ' VAL . 11.0 mmmt -111.52 -28.7 8.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 143.7 -144.54 13.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 85.8 m95 -108.59 118.48 36.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.95 -152.61 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.9 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -144.19 130.75 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.19 118.68 31.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 99' ' ' LEU . 5.3 mt-10 -95.94 127.21 41.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -135.55 127.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.9 136.79 34.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 36' ' ' PHE . 13.1 p -142.61 123.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 97' ' ' VAL . 2.8 t -80.57 148.81 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 p -95.03 106.83 18.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.584 HG22 HG12 ' A' ' 119' ' ' VAL . 3.6 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 6.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.01 -174.18 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.72 -176.38 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.95 138.66 23.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.07 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -90.04 161.87 15.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 45.36 4.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.173 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.3 mm -90.46 113.95 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 47' ' ' ILE . 76.5 mt -136.11 153.82 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -117.6 92.68 41.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 44.9 tt0 -113.15 115.9 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 36' ' ' PHE . 69.6 t -141.33 107.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.3 mtp180 -100.64 -166.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -70.52 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.5 p -95.83 30.9 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.9 p -167.79 123.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.898 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.8 m -131.6 168.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.4 ttm-85 -156.19 105.9 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -106.41 169.6 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.54 158.77 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.52 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 35.4 p90 -149.17 176.38 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -130.03 162.95 50.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 150.48 38.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.04 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.96 85.82 18.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 -33.21 4.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 23.3 p30 40.19 43.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.44 124.2 0.98 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 mp -53.07 121.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.815 HG21 ' CE1' ' A' ' 61' ' ' TYR . 14.7 mm -70.99 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 26.4 mt -104.88 -21.85 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.96 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.78 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.815 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.3 m-85 -142.57 172.85 12.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 45.8 tt0 -137.24 133.17 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.01 113.82 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 p -109.86 121.39 45.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -118.45 131.16 56.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.26 127.76 10.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -93.91 127.12 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.96 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.8 mt -107.64 170.53 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.77 166.93 41.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -2.84 13.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -119.04 34.47 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.21 124.41 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -108.17 -18.57 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.516 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 pt20 -150.2 165.72 32.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -151.04 131.8 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -92.41 134.38 35.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -113.12 115.37 28.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.8 p -116.8 156.72 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.01 53.27 4.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 42' ' ' THR . 2.3 mt -120.85 158.41 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.58 134.49 27.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 163.4 35.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 64.1 51.37 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.626 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.0 m -163.42 -174.47 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.6 ' HB ' HG22 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -135.72 147.72 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.639 ' CE1' HD21 ' A' ' 67' ' ' LEU . 62.1 m-85 -127.24 137.06 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -91.39 109.04 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.451 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 23.0 m-85 -94.05 112.25 24.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.9 ttp180 -105.89 113.6 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.557 HG22 ' HG3' ' A' ' 31' ' ' PRO . 17.7 mt -99.08 139.71 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 112' ' ' GLU . 4.3 m -148.28 160.15 43.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.6 156.24 26.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.9 tt0 -122.24 121.99 38.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.7 p -124.44 -167.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.67 -4.82 39.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -99.55 -40.09 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.63 -141.16 9.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 90.8 m95 -108.95 109.8 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.98 -152.43 6.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -50.95 165.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -140.07 139.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.529 ' CG ' HD21 ' A' ' 99' ' ' LEU . 9.8 mt-10 -100.14 123.17 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.549 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.83 130.83 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 97' ' ' VAL . 3.7 mt -99.29 148.46 24.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.588 HG11 ' CE1' ' A' ' 36' ' ' PHE . 5.0 p -149.46 129.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.6 HG22 ' HB ' ' A' ' 97' ' ' VAL . 25.4 t -90.35 147.21 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 8.5 p -100.33 117.28 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.6 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.04 169.25 23.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.93 -168.66 45.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.06 135.33 18.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.91 108.1 2.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -88.8 162.75 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 45.87 4.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.6 mm -92.12 120.82 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 47' ' ' ILE . 96.5 mt -144.59 150.22 37.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 83.8 m-85 -114.35 88.71 15.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.697 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -40.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.505 ' N ' HH21 ' A' ' 45' ' ' ARG . 27.6 tt0 -119.54 117.92 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 67.6 t -143.19 118.09 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.8 mmt180 -109.35 -167.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.6 OUTLIER -73.6 -77.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 94' ' ' PRO . 43.5 p -92.8 29.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ARG . 15.6 t -170.01 146.57 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -152.38 170.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.505 HH21 ' N ' ' A' ' 38' ' ' GLU . 9.0 ttp180 -155.62 113.99 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.03 170.49 7.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.697 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -140.28 127.38 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.662 ' HB3' HD13 ' A' ' 102' ' ' ILE . 24.5 p90 -117.94 -175.29 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -136.63 162.39 56.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 150.01 37.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 123.72 8.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.89 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -117.28 85.49 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER 41.1 42.87 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.14 132.52 1.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -60.6 112.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.825 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -57.68 136.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.2 mt -110.46 -23.19 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.1 -170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.825 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -142.38 171.46 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 38.6 tt0 -136.06 137.95 41.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -129.13 111.49 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -106.0 128.27 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -123.37 139.52 53.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -161.86 152.37 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.849 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.0 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -96.36 129.22 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.945 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 1.8 mt -110.33 172.28 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.27 167.88 31.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.92 -0.0 9.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -123.99 32.52 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.79 112.95 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.16 -23.41 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 2.9 mp0 -128.05 175.2 8.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.622 ' CD2' HG21 ' A' ' 63' ' ' ILE . 36.6 t80 -161.11 147.91 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -111.42 127.49 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.59 124.54 50.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.0 p -126.49 152.4 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.76 56.48 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -121.95 165.5 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.8 ttmm -99.41 131.74 24.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 158.57 42.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 65.39 46.15 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.4 m -153.26 -179.1 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 119' ' ' VAL . 4.6 t -123.09 138.82 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.849 ' CE1' HD21 ' A' ' 67' ' ' LEU . 19.9 m-85 -126.05 131.46 52.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.3 tm? -94.85 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.6 m-85 -100.33 112.74 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.486 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.7 ttp180 -102.59 112.61 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.844 HD11 HD11 ' A' ' 46' ' ' LEU . 17.7 mt -97.76 137.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.4 m -147.35 160.0 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.618 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.71 160.6 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.1 tt0 -124.28 119.5 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -123.15 -168.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.66 -17.99 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.549 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.7 mmmm -86.81 -41.82 13.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.28 -141.34 9.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 91.3 m95 -105.53 111.44 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -79.53 -151.19 6.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.63 163.49 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.74 138.7 39.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.79 121.42 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 125.54 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.558 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -137.58 123.63 20.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -90.24 148.09 23.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 6.3 p -149.79 128.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 97' ' ' VAL . 2.7 t -86.41 152.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 41' ' ' THR . 1.8 p -105.37 112.94 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.472 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB3' ' A' ' 108' ' ' LYS . 11.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.01 164.24 33.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.549 1.815 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -168.4 38.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.99 138.14 22.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.645 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 108.49 2.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -88.85 161.32 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 89.04 42.8 5.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.645 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.0 mm -88.8 97.43 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.8 mm? -121.38 151.34 40.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.2 m-85 -115.36 91.96 30.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.598 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.97 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -113.88 116.53 29.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 36' ' ' PHE . 59.7 t -140.34 108.9 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' SER . 12.3 mtp180 -99.1 -168.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -74.72 -76.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 p -89.58 25.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 2.9 m -168.45 148.09 4.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -150.54 172.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.9 ttm180 -158.27 107.69 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -107.24 169.62 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.7 147.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.582 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.9 p90 -137.31 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -131.75 162.61 55.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 152.51 40.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.09 -30.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.29 84.45 17.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.92 2.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 45.85 44.67 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.61 137.69 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.59 128.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.787 HG21 ' CE1' ' A' ' 61' ' ' TYR . 39.0 mm -72.54 126.16 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 3.7 mp -93.43 -27.18 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.2 -170.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.787 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.9 m-85 -138.93 169.57 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 22.5 tp60 -132.75 129.1 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -125.81 114.18 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 128.02 56.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 65' ' ' HIS . 1.3 p80 -118.24 123.33 45.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -137.63 143.63 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.733 HD21 ' CE1' ' A' ' 98' ' ' TYR . 6.9 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.01 144.14 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.952 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mt -123.11 172.21 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -83.25 166.85 32.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 0.25 9.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 30.47 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CZ2' ' A' ' 48' ' ' TRP . . . -106.26 105.38 15.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -14.79 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -147.24 179.68 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.585 ' HD1' HD21 ' A' ' 80' ' ' LEU . 23.6 t80 -158.49 151.66 22.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -111.47 129.22 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.77 119.26 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 p -123.54 154.85 38.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 56.83 3.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.9 mt -123.93 169.32 11.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -101.15 136.34 19.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.01 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.08 52.69 14.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 92.5 p -153.71 -171.24 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.623 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -137.12 135.7 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.733 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.5 m-85 -123.49 129.84 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.555 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.5 tm? -89.11 116.64 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 46' ' ' LEU . 19.4 m-85 -99.42 111.88 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.485 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.7 ttp180 -102.11 109.16 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.633 HD11 HD11 ' A' ' 46' ' ' LEU . 39.0 mt -97.59 136.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.9 m -148.35 163.14 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -116.69 155.34 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.2 tt0 -119.62 122.58 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.7 -167.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -0.27 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB3' HG13 ' A' ' 27' ' ' VAL . 1.3 mppt? -101.54 -46.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.69 -119.76 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.6 m95 -128.31 111.39 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -74.98 -156.23 5.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.84 173.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -146.51 131.52 18.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.58 119.76 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.552 ' HB3' HD21 ' A' ' 99' ' ' LEU . 14.8 mt-10 -100.73 122.94 44.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -135.14 122.16 21.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -92.8 135.77 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 2.9 p -133.53 122.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 96' ' ' SER . 13.7 t -81.46 145.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 69.9 p -94.26 117.17 29.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 2.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.0 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.808 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.43 -167.12 41.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.31 21.59 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.95 107.56 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -90.33 167.71 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.29 48.21 5.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 116' ' ' ALA . 9.4 mm -93.53 114.24 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 47' ' ' ILE . 89.2 mt -134.29 151.31 51.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 69.3 m-85 -114.98 92.14 29.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -75.0 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.7 tt0 -113.94 115.97 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG11 ' CG2' ' A' ' 118' ' ' VAL . 61.1 t -140.62 116.58 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' SER . 1.1 mtp-105 -110.56 -165.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -72.16 -82.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.6 p -90.28 26.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.2 m -164.08 135.88 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.4 m -144.58 170.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.4 ttm180 -157.94 108.23 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -107.83 169.53 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.21 142.05 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.595 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.5 p90 -131.25 178.89 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -133.3 161.49 63.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 153.42 41.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.02 121.38 6.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.45 -29.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.76 84.92 16.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.66 3.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER 40.08 41.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.75 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -62.18 108.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.809 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -53.76 131.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.9 mt -105.43 -22.69 12.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.45 -170.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.809 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.1 m-85 -141.17 173.1 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.3 tt0 -135.69 134.05 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.733 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.23 121.19 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 p -117.02 133.85 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 65' ' ' HIS . 1.2 p80 -117.27 130.77 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -155.57 134.54 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.771 HD21 ' CE1' ' A' ' 98' ' ' TYR . 12.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.8 t -94.2 130.72 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.973 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -113.13 172.61 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 167.03 38.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 p -121.52 34.02 5.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.19 114.47 28.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.2 mmm180 -97.87 -22.65 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.484 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.7 pt20 -144.27 163.73 32.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 2.9 t80 -147.13 138.69 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.8 m -93.87 129.49 40.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.908 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.56 115.15 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -119.88 164.67 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.47 51.31 12.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 1.2 mt -119.47 159.3 24.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.66 133.51 29.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.26 35.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 63.68 43.03 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.584 ' HB3' HD22 ' A' ' 67' ' ' LEU . 13.3 m -155.67 179.08 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.599 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -123.14 137.24 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.771 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.6 m-85 -122.68 122.07 37.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -79.11 141.02 37.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.9 m-85 -120.49 110.08 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.483 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 2.1 ttp180 -99.15 107.9 20.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 48' ' ' TRP . 22.8 mt -98.33 137.98 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.8 m -148.34 159.46 43.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.95 156.0 27.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 4.5 tt0 -120.56 124.04 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 58' ' ' ILE . 7.2 p -123.81 -168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.01 -8.57 56.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.65 -45.57 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.53 -145.16 12.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.1 m95 -105.5 120.25 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.68 -157.58 27.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 103' ' ' THR . 1.6 tt0 -48.36 171.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.94 133.97 30.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.07 117.94 30.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 99' ' ' LEU . 22.7 mt-10 -96.65 121.18 38.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -130.17 123.12 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.535 ' HG ' HD12 ' A' ' 99' ' ' LEU . 1.2 mt -93.61 146.51 23.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 p -147.66 127.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 96' ' ' SER . 9.3 t -87.57 144.32 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.424 ' O ' ' HB ' ' A' ' 121' ' ' THR . 11.8 p -100.82 116.3 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.1 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.72 -168.58 26.39 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.575 1.172 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.04 134.8 18.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.633 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -87.87 160.58 17.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.65 40.4 5.01 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.7 mm -86.73 121.68 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.641 ' HB2' HD11 ' A' ' 47' ' ' ILE . 81.6 mt -147.43 149.65 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.3 m-85 -113.84 91.41 21.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.98 -49.7 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 35.5 tt0 -113.35 117.65 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 36' ' ' PHE . 53.7 t -140.94 125.91 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.4 mtp180 -120.47 -168.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -70.69 -81.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.1 p -89.89 28.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.0 t -167.12 144.25 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.0 m -151.97 171.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -157.09 116.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -114.69 169.64 8.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.8 136.78 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.663 ' HB3' HD13 ' A' ' 102' ' ' ILE . 25.0 p90 -128.32 -172.42 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -142.88 162.18 45.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.95 152.45 41.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.0 124.98 9.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 -29.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.26 85.71 16.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 39.99 42.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.55 128.33 1.03 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.77 111.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.763 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.893 HG21 ' CE1' ' A' ' 61' ' ' TYR . 47.5 mm -57.35 134.01 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 27.2 mt -106.28 -23.42 12.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.923 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.39 -170.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.893 ' CE1' HG21 ' A' ' 58' ' ' ILE . 32.2 m-85 -143.56 173.97 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 36.9 tt0 -138.11 133.85 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.641 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.75 108.18 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 100' ' ' PHE . 17.0 p -99.19 163.88 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -157.57 134.37 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -161.2 132.38 5.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.77 130.05 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.923 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.0 mt -109.68 171.82 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 168.75 24.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -6.8 18.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.11 36.24 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.8 127.03 48.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -24.91 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 4.7 pt20 -145.82 164.58 31.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.746 ' HD2' HD21 ' A' ' 80' ' ' LEU . 33.8 t80 -146.0 125.1 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.2 m -90.27 128.45 36.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.724 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.36 140.52 37.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -140.98 141.87 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 81.18 55.17 3.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 89' ' ' ALA . 4.3 mt -114.83 173.81 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -97.86 130.02 29.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.97 175.19 11.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 44.67 45.5 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -153.7 165.62 35.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 119' ' ' VAL . 0.7 OUTLIER -112.65 138.27 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.695 ' CE1' HD21 ' A' ' 67' ' ' LEU . 6.6 m-85 -121.43 120.14 34.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -79.5 107.71 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 64' ' ' THR . 15.7 m-85 -92.11 112.31 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.461 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 4.3 ttt-85 -104.06 113.05 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 46' ' ' LEU . 18.8 mt -97.89 136.73 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -147.8 157.07 43.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.21 156.37 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 tt0 -119.25 123.71 44.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 3.6 p -123.91 -168.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -1.83 36.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -102.63 -36.04 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.0 -139.68 8.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.7 m95 -112.15 110.84 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.05 -152.73 5.94 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.8 164.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . . . -139.34 137.48 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.1 121.4 32.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.696 ' CG ' HD21 ' A' ' 99' ' ' LEU . 4.7 mt-10 -100.47 123.56 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.98 125.47 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 1.6 mt -93.57 144.75 25.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.0 p -145.89 125.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' SER . 7.4 t -84.55 142.8 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 p -97.77 114.54 26.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.464 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.564 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.05 169.05 23.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.39 48.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.0 138.02 22.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -92.81 160.83 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 87.95 42.28 6.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.656 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -87.74 101.77 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.2 mm? -127.92 160.97 30.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.753 ' CE2' HG11 ' A' ' 118' ' ' VAL . 78.3 m-85 -123.26 93.36 48.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.9 tt0 -119.53 112.03 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.8 118.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . 22.4 mtp180 -107.48 -163.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -69.77 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 92' ' ' LEU . 18.9 p -87.76 25.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.5 p -163.3 117.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -128.43 165.74 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.1 ttm180 -149.87 109.31 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.648 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -112.29 168.86 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.73 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -132.84 171.54 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 36.3 p90 -161.95 176.88 10.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -133.15 161.65 62.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -74.98 152.61 41.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.58 85.44 16.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -34.34 3.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER 40.04 45.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.64 132.46 1.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -63.23 107.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.751 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -51.95 134.47 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 32.9 mt -109.79 -24.14 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.91 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.39 -170.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.751 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.6 m-85 -143.01 174.3 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 18.2 tt0 -140.47 139.68 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.802 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -131.18 114.9 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -108.15 128.4 54.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -125.04 134.3 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.77 144.13 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -96.69 130.36 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.91 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.08 172.76 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -80.71 168.17 27.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.07 -4.59 15.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 m -116.95 34.12 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.72 126.98 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -25.76 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.694 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.9 pt20 -146.06 157.37 43.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.691 ' CD2' HG21 ' A' ' 63' ' ' ILE . 22.1 t80 -139.77 125.88 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.9 m -89.03 129.28 35.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.37 154.0 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 89' ' ' ALA . 33.1 p -155.71 152.89 29.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.16 64.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.02 159.48 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 18.9 ttmt -92.71 132.79 30.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.94 154.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 67.12 43.86 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.6 m -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 119' ' ' VAL . 2.6 t -127.29 134.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.735 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.7 m-85 -122.73 139.3 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.1 tm? -95.62 117.6 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.482 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 18.4 m-85 -100.03 112.24 24.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.3 ttp180 -104.29 112.25 25.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.462 HD11 HD11 ' A' ' 46' ' ' LEU . 22.8 mt -98.38 137.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.6 m -147.52 157.45 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.42 162.1 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 52.3 tt0 -124.04 118.69 27.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -123.67 -169.02 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.29 -17.27 59.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.7 mmmm -86.19 -35.11 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.2 -137.19 7.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 104' ' ' ALA . 94.2 m95 -110.99 111.15 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -75.87 -159.51 8.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 103' ' ' THR . 1.0 OUTLIER -47.38 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -141.08 133.2 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.82 122.39 33.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 99' ' ' LEU . 7.7 mt-10 -101.06 124.14 46.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.18 133.43 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD22 HG12 ' A' ' 97' ' ' VAL . 3.7 mt -98.27 148.14 23.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.2 p -152.07 121.23 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -80.32 153.25 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 41' ' ' THR . 11.4 p -104.17 114.69 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.81 -166.41 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.01 133.66 16.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CG ' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 108.66 2.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -92.17 163.95 13.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.08 50.87 3.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.699 HG21 ' HB2' ' A' ' 116' ' ' ALA . 6.5 mm -96.99 104.27 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 47' ' ' ILE . 81.0 mt -122.76 149.8 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 70.8 m-85 -113.65 92.71 25.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.97 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -119.69 117.75 29.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 118' ' ' VAL . 50.1 t -139.53 117.23 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.6 mtp180 -109.03 -164.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -72.21 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.596 HG22 ' HD3' ' A' ' 94' ' ' PRO . 68.8 p -82.03 8.92 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 29.5 m -144.4 142.73 30.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.3 m -150.31 170.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -157.33 117.82 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -117.84 169.39 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.11 132.22 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.612 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.24 -178.72 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -136.09 162.34 57.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.04 152.16 40.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.94 122.41 7.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.2 -27.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.69 84.76 15.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.8 m-80 40.03 42.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.39 127.14 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.35 134.83 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 0.8 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.861 HG21 ' CE1' ' A' ' 61' ' ' TYR . 8.1 mm -83.76 126.47 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -95.36 -19.91 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.866 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 171.61 -172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.861 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.1 m-85 -139.05 174.21 10.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.8 tt0 -138.63 132.32 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.01 106.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 101' ' ' ARG . 7.1 p -101.08 124.11 46.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -114.59 140.37 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -161.67 154.57 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.883 HD21 ' CE1' ' A' ' 98' ' ' TYR . 8.6 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.05 130.86 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.866 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.35 172.48 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 166.65 39.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -2.93 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -118.86 33.08 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.62 121.87 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -108.4 -5.97 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.475 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 12.6 pt20 -154.52 170.39 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' HD1' HD21 ' A' ' 80' ' ' LEU . 31.1 t80 -156.29 146.78 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.2 m -103.45 130.03 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.913 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.51 124.57 52.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 p -133.14 152.65 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.99 44.19 6.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -110.73 176.11 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.478 ' NZ ' ' HB3' ' A' ' 96' ' ' SER . 0.0 OUTLIER -109.84 134.79 20.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.96 149.84 37.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' PRO . 2.2 mt-10 69.57 55.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 67' ' ' LEU . 21.8 p -152.15 -170.55 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 119' ' ' VAL . 84.4 t -136.55 102.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.883 ' CE1' HD21 ' A' ' 67' ' ' LEU . 35.1 m-85 -96.61 140.02 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -107.99 131.58 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HE2' HG11 ' A' ' 118' ' ' VAL . 21.8 m-85 -110.5 113.49 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -97.69 109.71 22.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.7 mt -97.02 135.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.1 m -148.29 152.0 36.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -106.84 154.78 20.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.7 tt0 -114.8 124.31 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -122.65 -178.1 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.31 -6.44 43.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HB2' HG13 ' A' ' 27' ' ' VAL . 17.8 mmmt -99.01 -40.31 8.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 153.35 -147.23 16.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 90.0 m95 -105.41 119.69 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.54 -156.66 22.96 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -47.76 167.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.46 125.95 20.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.27 120.66 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.72 ' CB ' HD21 ' A' ' 99' ' ' LEU . 26.7 mt-10 -97.12 128.65 44.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.699 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.3 121.36 23.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.1 mt -93.82 142.65 27.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.613 HG11 ' HE2' ' A' ' 100' ' ' PHE . 9.1 p -148.35 124.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 97' ' ' VAL . 5.0 t -80.78 151.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' THR . 40.2 p -96.39 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.467 HG22 HG12 ' A' ' 119' ' ' VAL . 2.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.91 168.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.28 170.39 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.94 -178.97 20.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -175.97 169.98 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.21 157.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.65 -166.15 15.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.66 153.56 47.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.33 170.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.06 163.42 14.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 177.23 166.03 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.32 131.56 1.4 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.26 91.11 0.29 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.031 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.9 15.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -161.07 -179.42 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -148.29 145.32 20.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.03 144.85 30.64 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.563 1.823 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.05 137.18 21.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.72 HG22 ' H ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -85.84 -179.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.72 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.9 OUTLIER 58.37 56.4 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.74 85.33 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 1.4 ptp180 -88.03 118.2 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.66 -52.05 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 172.49 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -100.37 159.97 14.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -178.04 147.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.3 m -56.55 160.52 5.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.25 -166.8 31.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.1 17.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.683 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -88.58 160.66 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.62 44.79 4.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.826 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.5 mm -92.69 103.98 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.826 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -128.38 150.96 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 118' ' ' VAL . 67.7 m-85 -114.04 91.42 22.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.9 tt0 -113.11 114.54 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.572 HG11 ' CG2' ' A' ' 118' ' ' VAL . 65.4 t -141.4 114.73 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 43' ' ' SER . 8.8 mtp180 -108.34 -163.76 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.46 -77.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.0 p -101.92 34.06 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 2.9 p -168.95 113.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -125.0 169.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.1 ttm-85 -156.94 106.14 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD11 HD11 ' A' ' 102' ' ' ILE . 1.2 pt? -105.25 170.44 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.88 140.2 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.654 ' HB3' HD13 ' A' ' 102' ' ' ILE . 28.1 p90 -131.93 179.09 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -135.92 160.29 67.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.05 153.3 41.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.99 119.36 5.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.2 -28.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.43 85.44 16.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.75 2.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER 42.29 44.46 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.7 134.26 2.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.2 128.32 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.917 HG21 ' CE1' ' A' ' 61' ' ' TYR . 26.8 mm -74.93 129.53 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.6 mp -96.95 -25.15 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.882 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.917 ' CE1' HG21 ' A' ' 58' ' ' ILE . 27.0 m-85 -137.15 174.14 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.9 tt0 -141.32 134.41 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.91 104.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.844 HG22 ' HB ' ' A' ' 77' ' ' VAL . 21.5 p -90.65 123.19 34.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -118.69 127.79 53.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 5.0 ptt180 -155.1 160.87 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 70' ' ' THR . 5.5 mt -83.58 120.51 26.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -55.2 -32.64 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' THR . 49.6 p -134.68 102.16 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.733 HG21 ' HB2' ' A' ' 67' ' ' LEU . 7.4 t -176.46 -163.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.708 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -130.12 156.29 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.445 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 71' ' ' THR . . . 162.2 -168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -100.47 -52.28 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 p -149.13 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -117.07 129.03 55.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 m -75.15 95.28 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.844 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -84.7 146.18 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -119.22 136.74 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.81 128.99 46.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.882 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mt -107.45 172.66 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.58 168.62 26.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -4.25 15.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -118.96 33.41 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.44 121.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.03 -22.44 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.523 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -126.52 172.09 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.661 ' HD1' HD21 ' A' ' 80' ' ' LEU . 47.9 t80 -160.42 159.58 31.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.9 m -121.46 130.61 53.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.9 114.95 28.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -116.2 152.07 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 55.18 3.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 42' ' ' THR . 2.7 mt -121.46 141.89 50.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.66 129.32 83.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.2 39.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.76 48.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 75.1 m -157.4 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 119' ' ' VAL . 11.6 t -127.89 139.34 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.5 m-85 -124.44 136.63 54.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.6 tm? -97.4 119.59 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.489 ' N ' HD22 ' A' ' 99' ' ' LEU . 18.0 m-85 -104.14 112.18 25.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp85 -104.18 112.57 25.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 48' ' ' TRP . 18.8 mt -97.75 136.06 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -146.56 161.44 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -117.67 157.26 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 10.2 tt0 -119.95 125.54 48.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -123.6 -168.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -13.03 60.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.787 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.8 mmmt -95.74 -34.9 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.63 -144.11 12.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 73.9 m95 -105.36 122.54 46.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.3 -153.75 25.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -48.9 161.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.84 135.03 39.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.8 mt-10 -99.59 125.5 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -136.03 127.24 28.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.443 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.3 mt -92.59 150.38 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.572 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.3 p -152.62 130.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -89.88 154.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 121' ' ' THR . 7.9 p -107.69 113.82 27.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t -177.12 170.52 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -92.13 -28.66 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.48 116.61 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 134.36 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.96 134.72 25.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.46 103.6 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.73 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.62 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.77 151.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.19 163.31 20.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.46 169.85 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.934 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.27 128.19 1.33 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -170.83 134.74 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -172.09 145.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.57 -116.23 3.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.52 146.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mt -65.81 103.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.68 110.08 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.7 140.26 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.76 108.58 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -156.71 77.84 4.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.36 87.84 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -149.57 159.72 35.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 163.6 35.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HG3' ' HB1' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.05 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.24 143.61 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.25 67.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -104.58 157.83 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 50.31 98.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -75.51 -62.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -48.11 147.33 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 161.36 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.27 154.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 108' ' ' LYS . 6.5 m -40.58 158.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.75 19.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -165.89 41.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.34 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.95 108.26 2.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -91.63 162.12 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 38.45 5.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.3 mm -87.03 111.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 47' ' ' ILE . 68.3 mt -134.53 149.87 50.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 77.4 m-85 -113.65 91.91 22.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.586 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -115.92 116.5 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 36' ' ' PHE . 54.6 t -140.48 124.57 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 mtp180 -119.12 -164.51 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -70.42 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 92' ' ' LEU . 67.2 p -88.22 20.2 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -155.44 137.97 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.2 m -147.62 174.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.6 ttm-85 -161.37 108.74 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.92 169.88 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.54 140.44 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.605 ' HB3' HD13 ' A' ' 102' ' ' ILE . 27.5 p90 -131.56 -179.59 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -136.76 162.18 57.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.92 152.76 41.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.05 123.03 7.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB1' ' HG3' ' A' ' 18' ' ' PRO . . . -43.21 -30.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.57 84.68 15.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.76 3.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER 41.25 40.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.37 130.07 1.08 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -61.17 111.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.928 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -58.34 130.39 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.0 mt -102.47 -23.52 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.62 -170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.928 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -143.19 172.89 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 27.0 tt0 -138.4 139.42 38.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.878 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -132.05 116.99 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 77' ' ' VAL . 53.1 p -113.23 129.92 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -125.31 129.99 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.606 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 10.6 ptt85 -162.01 138.43 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -38.58 130.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.628 ' C ' HG22 ' A' ' 69' ' ' THR . 58.2 t30 -64.89 -10.38 28.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.628 HG22 ' C ' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -176.08 108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.662 HG23 ' N ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -175.71 -171.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.662 ' N ' HG23 ' A' ' 70' ' ' THR . 74.3 p -115.95 106.7 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.8 -168.65 2.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.81 -57.2 2.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -156.02 168.92 25.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -96.41 151.64 19.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.6 m -89.35 101.89 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 64' ' ' THR . 70.5 t -85.73 133.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.8 tt0 -129.09 135.44 48.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -97.22 131.74 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.3 mt -111.46 172.26 6.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.54 168.27 28.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.06 -5.93 17.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.85 32.57 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.15 117.0 33.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.35 -22.44 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -142.94 167.31 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.1 t80 -148.9 149.85 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 m -107.18 122.91 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.07 114.72 29.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -116.31 158.59 23.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 63.76 3.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -125.01 161.47 26.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 11.6 ttmt -90.13 125.95 58.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -75.05 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 59.68 45.04 13.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.27 -177.19 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 119' ' ' VAL . 23.6 t -122.87 127.77 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.686 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.7 m-85 -116.35 131.14 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -96.58 122.21 39.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.2 m-85 -102.35 112.85 25.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.2 ttp180 -101.4 109.01 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.701 HD11 HD11 ' A' ' 46' ' ' LEU . 23.8 mt -97.15 137.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.5 m -148.33 155.8 41.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . . . -112.43 156.65 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 2.0 tt0 -117.21 126.11 52.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 p -123.96 -168.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.5 -14.08 60.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.3 mmmm -92.92 -37.03 12.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.54 -137.3 6.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 83.5 m95 -110.66 115.81 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.431 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.26 -144.33 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -61.22 169.23 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.96 133.13 29.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.31 121.75 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' A' ' 99' ' ' LEU . 51.9 mt-10 -97.47 127.35 43.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.66 120.0 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.6 mt -88.65 142.11 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.553 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.6 p -146.46 125.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -84.91 145.77 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -98.23 115.37 28.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.9 t -177.0 170.91 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.8 -30.17 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 164.95 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 57.13 108.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -155.86 114.13 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.49 164.83 12.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.8 m 51.58 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.2 p -103.07 167.96 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p 179.09 167.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -175.21 162.47 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.15 -179.85 30.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -161.86 166.58 26.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -162.23 170.61 18.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.9 -179.31 23.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -173.45 131.33 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.1 mt -116.54 152.45 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.33 72.7 0.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.98 149.18 23.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.9 118.38 3.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.8 p -159.46 91.61 1.87 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.91 9.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.19 154.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 9.5 p-80 -174.18 145.29 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.618 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.03 142.98 28.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.777 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.34 41.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 80.9 mt -95.86 134.04 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.84 110.28 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.89 73.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 42.24 84.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -82.18 -53.73 5.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 ' H ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -105.84 151.25 24.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.549 ' H ' HD13 ' A' ' 24' ' ' LEU . 28.0 m-20 -109.87 139.53 44.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 152.76 17.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.9 m -43.4 159.49 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.01 163.98 34.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.61 -173.43 42.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 139.98 24.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.93 110.86 3.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -92.76 161.79 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 49.88 3.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.598 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mm -94.51 120.13 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 47' ' ' ILE . 62.7 mt -142.6 151.72 41.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.739 ' CE1' HG11 ' A' ' 118' ' ' VAL . 76.6 m-85 -114.91 91.45 26.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.01 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ARG . 21.8 tt0 -113.82 117.89 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 ' CG1' ' A' ' 44' ' ' VAL . 69.1 t -140.71 119.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.1 mmt180 -106.7 -165.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -78.54 -74.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.424 HG22 ' HD3' ' A' ' 94' ' ' PRO . 72.6 p -90.21 29.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 t -175.67 153.89 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.946 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.2 m -152.2 175.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.7 ttm-85 -155.74 104.03 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -104.81 170.45 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.24 150.36 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 102' ' ' ILE . 33.3 p90 -140.14 -176.09 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.51 161.64 57.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 151.56 39.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.04 124.12 8.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.83 -28.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.6 85.7 17.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.8 3.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.49 44.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.58 134.95 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.92 111.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.92 136.83 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 20.4 mt -110.58 -23.9 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.51 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.742 ' CE1' HG21 ' A' ' 58' ' ' ILE . 26.6 m-85 -141.88 168.99 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.729 ' NE2' HG21 ' A' ' 77' ' ' VAL . 57.8 tt0 -131.87 132.52 43.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.616 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.89 105.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.841 HG22 ' HB ' ' A' ' 77' ' ' VAL . 17.2 p -99.37 121.17 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -116.6 139.17 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 28.5 ptt180 -160.31 153.43 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.785 ' HB2' HG21 ' A' ' 70' ' ' THR . 5.5 mt -77.91 109.51 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -39.73 -36.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.426 ' O ' ' HB ' ' A' ' 70' ' ' THR . 23.2 p -136.98 110.74 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.785 HG21 ' HB2' ' A' ' 67' ' ' LEU . 8.9 t -175.85 -164.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 70' ' ' THR . 76.2 p -152.53 97.74 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.34 -172.95 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -69.43 -48.42 61.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.608 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -179.95 177.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' N ' HG23 ' A' ' 74' ' ' THR . . . -87.76 132.56 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -91.98 99.91 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.841 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -84.72 146.6 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.09 130.59 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -109.77 171.35 7.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.16 168.7 25.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -7.29 18.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -115.44 34.41 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.77 120.12 39.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -13.56 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.504 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.3 pt20 -154.15 165.12 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HD1' HD21 ' A' ' 80' ' ' LEU . 62.6 t80 -143.8 152.81 41.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.8 m -115.1 129.0 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.27 140.1 38.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -144.34 136.2 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.92 49.14 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mt -114.87 166.17 12.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 5.3 ttmm -92.84 127.57 47.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.528 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.95 156.75 43.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.07 56.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 69.7 m -164.33 -175.34 3.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 119' ' ' VAL . 8.3 t -123.36 138.78 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.599 ' CE1' HD21 ' A' ' 67' ' ' LEU . 21.9 m-85 -126.53 133.71 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.5 tm? -95.46 121.12 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.634 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 30.7 m-85 -107.37 112.72 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.2 ttp85 -103.71 114.69 29.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 48' ' ' TRP . 26.5 mt -97.79 139.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' GLU . 6.6 m -147.9 160.25 42.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.589 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.3 160.35 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -124.26 120.45 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -123.46 -168.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 3.9 ptm180 -78.21 2.6 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.3 mppt? -102.97 -46.29 4.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.7 -121.4 1.05 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.8 m95 -128.82 109.27 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.493 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -73.73 -163.77 9.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.23 164.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -135.54 137.74 42.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.7 120.78 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 9.6 mt-10 -97.1 124.32 41.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.598 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.04 123.51 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.474 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.1 mt -91.4 154.34 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.739 HG11 ' CE1' ' A' ' 36' ' ' PHE . 4.7 p -156.53 125.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -81.98 147.7 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 121' ' ' THR . 4.4 p -101.49 112.65 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 120' ' ' THR . 8.4 t -175.81 167.14 3.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.3 -44.19 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -58.56 149.93 24.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.24 137.61 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.25 148.8 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.61 72.6 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.19 5.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.0 t -104.46 159.29 15.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.56 105.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.058 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -176.8 94.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.96 154.18 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.97 103.05 1.02 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -167.16 135.12 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.92 92.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.91 -167.99 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -107.87 141.7 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -86.95 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.19 174.11 21.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.19 150.34 39.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.07 -131.43 4.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.57 95.85 48.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.048 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 p -129.35 143.44 50.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 15.2 p-80 -78.15 129.4 75.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.74 28.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.81 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mt -73.6 139.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.84 110.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -148.38 161.94 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -129.95 159.28 37.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -86.7 -33.79 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.464 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 135.26 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' ASP . 38.6 m-20 -89.75 148.88 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 3.0 p30 162.36 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.0 m -40.3 159.62 0.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.98 175.5 11.15 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.1 -167.85 40.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.02 136.33 20.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.97 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -89.76 163.15 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.63 45.17 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 116' ' ' ALA . 6.8 mm -92.32 117.11 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.803 ' O ' HD13 ' A' ' 47' ' ' ILE . 94.8 mt -142.27 155.15 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.635 ' CE2' HG11 ' A' ' 118' ' ' VAL . 84.1 m-85 -118.1 93.5 44.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.599 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ARG . 48.1 tt0 -119.83 109.59 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -138.74 113.69 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp85 -102.99 -162.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -71.48 -86.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 92' ' ' LEU . 59.2 p -87.45 24.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.435 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.1 p -162.42 114.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -125.99 163.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.2 ttm-85 -149.67 113.55 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -114.04 169.74 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.08 160.04 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 33.6 p90 -149.62 178.72 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -134.35 162.34 58.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.07 150.81 38.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -74.99 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.47 -28.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.04 85.48 18.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 43.01 46.17 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.53 129.24 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.19 113.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.839 HG21 ' CE1' ' A' ' 61' ' ' TYR . 45.0 mm -58.7 134.0 23.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 31.5 mt -108.03 -23.14 12.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.891 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.65 -171.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.839 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.5 m-85 -142.35 174.1 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' CD ' ' CG1' ' A' ' 77' ' ' VAL . 27.6 tt0 -138.45 133.76 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.16 106.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -102.17 120.84 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.517 ' CE1' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -123.23 136.57 54.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 11.9 ptt180 -161.97 144.21 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.81 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.8 mt -59.23 113.99 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 50.9 t-20 -39.25 -30.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 70' ' ' THR . 21.3 p -134.33 108.68 8.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -165.54 -171.67 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.0 p -147.74 100.5 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.76 -174.75 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -77.61 -45.16 25.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -166.29 169.29 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' N ' HG23 ' A' ' 74' ' ' THR . . . -86.22 155.8 20.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 m -81.71 96.7 7.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 53.2 t -86.48 132.82 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -127.65 135.73 50.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.0 t -96.59 127.96 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.891 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -105.91 171.05 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.01 168.62 26.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 -9.25 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 p -112.55 33.95 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -112.38 -23.47 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 5.6 pt20 -149.72 168.81 22.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' HD2' HD21 ' A' ' 80' ' ' LEU . 23.9 t80 -151.17 137.14 18.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.6 m -101.93 125.36 48.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.09 123.77 45.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.3 p -122.79 156.52 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.52 63.08 2.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -128.11 171.41 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -102.77 130.17 24.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.7 39.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.51 43.31 3.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 67' ' ' LEU . 20.0 m -149.65 -177.2 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 119' ' ' VAL . 9.8 t -126.26 138.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.81 ' CE2' HD21 ' A' ' 67' ' ' LEU . 35.8 m-85 -126.48 128.42 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -92.2 116.3 28.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 25.8 m-85 -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.509 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 6.9 ttt180 -103.55 112.08 24.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 48' ' ' TRP . 29.4 mt -97.98 138.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' GLU . 10.7 m -148.55 157.7 43.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.25 158.3 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.3 tt0 -122.42 122.93 40.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 p -123.61 -167.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.76 -17.65 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.592 ' HB2' HG13 ' A' ' 27' ' ' VAL . 12.7 mmmm -87.19 -43.21 12.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 152.65 -135.14 4.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 88.0 m95 -112.03 117.05 31.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.38 -152.0 7.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -54.85 163.68 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -134.95 135.65 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.9 122.14 37.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.678 ' HB3' HD21 ' A' ' 99' ' ' LEU . 24.7 mt-10 -99.63 124.33 44.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.44 122.11 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 99' ' ' LEU . 2.7 mt -91.23 144.87 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.3 p -148.74 126.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.066 HG22 HG22 ' A' ' 97' ' ' VAL . 3.4 t -85.86 149.91 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 41' ' ' THR . 6.0 p -99.47 112.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.47 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t -177.16 171.32 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.54 -20.69 18.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -82.8 124.49 30.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -140.61 137.87 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.4 m -115.74 -49.75 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.049 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 110.48 114.77 3.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.4 m -98.69 -62.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 t -139.97 151.89 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.043 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 p -112.85 107.1 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -76.97 109.99 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.951 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.13 -109.4 3.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 m 40.14 88.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -58.89 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.48 -128.86 47.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.09 93.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm -103.27 140.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.03 170.29 53.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -155.21 137.85 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.13 147.07 16.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.4 p -121.7 128.51 25.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 57.04 4.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 p -176.97 150.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 11.3 m80 -100.26 140.67 21.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.6 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.97 172.82 15.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ILE . 18.1 Cg_endo -75.04 166.31 29.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' PRO . 34.3 mt 61.5 144.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.22 75.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.92 161.61 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.61 76.51 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -68.57 -48.96 62.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.41 151.79 37.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.61 124.26 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.15 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 108' ' ' LYS . 10.9 m -41.99 159.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.92 179.68 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.74 -171.47 34.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 137.36 21.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.05 110.74 3.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -90.67 160.97 15.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 50.83 3.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 116' ' ' ALA . 7.5 mm -95.25 123.75 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 47' ' ' ILE . 96.6 mt -147.61 151.33 36.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 118' ' ' VAL . 79.3 m-85 -114.77 91.42 25.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.582 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.03 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ARG . 23.9 tt0 -113.6 117.64 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG13 ' CG1' ' A' ' 44' ' ' VAL . 63.4 t -141.27 123.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 mmt85 -114.4 -169.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -70.72 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 94' ' ' PRO . 75.7 p -89.04 32.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 69.7 p -174.78 151.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 89' ' ' ALA . 5.2 m -153.68 178.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' GLU . 8.6 ttm-85 -159.7 103.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -104.44 170.42 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.74 151.87 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 25.6 p90 -143.51 -174.4 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -140.68 161.55 53.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.96 150.62 38.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.97 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.99 -28.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.65 85.71 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 45.74 44.14 10.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.28 127.97 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.88 111.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.767 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.2 mm -57.82 135.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 28.8 mt -109.15 -24.55 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.17 -165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.767 ' HE1' HG21 ' A' ' 58' ' ' ILE . 16.4 m-85 -147.81 174.3 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.2 tt0 -139.56 132.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.812 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.3 102.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.697 HG22 ' HB ' ' A' ' 77' ' ' VAL . 33.7 p -88.77 121.11 30.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 76' ' ' THR . 3.4 p80 -113.44 132.27 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 98' ' ' TYR . 8.4 ptm180 -162.09 -174.79 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.1 mt -107.11 147.71 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' C ' ' CG2' ' A' ' 69' ' ' THR . 9.9 t30 -88.56 23.8 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 7.5 p -148.74 -140.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p 48.58 -154.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.1 160.29 14.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 73' ' ' ASN . . . -91.98 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.53 ' O ' ' OG1' ' A' ' 74' ' ' THR . 2.6 m120 174.0 68.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 43.3 p 51.46 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 66' ' ' ARG . . . -129.9 147.08 51.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 65' ' ' HIS . 77.4 m -74.22 97.5 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.697 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.9 OUTLIER -95.52 158.99 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.81 136.12 36.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.87 133.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.927 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.9 mt -114.24 167.26 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -74.94 167.72 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -118.56 34.83 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.88 123.33 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -106.85 -20.4 13.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 11.8 pt20 -149.61 162.89 39.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.682 ' CD2' HG21 ' A' ' 63' ' ' ILE . 69.3 t80 -142.87 149.57 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 m -110.61 127.84 55.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.65 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.15 140.65 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 p -141.34 138.0 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.56 54.58 2.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 5.1 mt -115.91 168.12 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.1 ttmm -100.62 128.08 30.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.759 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.02 43.23 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.458 ' HB3' HD22 ' A' ' 67' ' ' LEU . 2.0 m -152.63 169.88 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 119' ' ' VAL . 4.2 t -111.86 129.87 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.797 ' CE1' HD21 ' A' ' 67' ' ' LEU . 11.5 m-85 -114.02 136.06 53.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.7 tm? -98.4 116.73 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.2 m-85 -102.24 112.85 25.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 7.4 ttt-85 -105.71 115.65 30.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 46' ' ' LEU . 18.7 mt -99.95 139.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 3.5 m -148.24 159.42 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -113.18 160.19 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 37.1 tt0 -123.61 121.91 36.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -123.68 -167.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -74.87 -12.36 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 27' ' ' VAL . 1.7 mmmm -91.51 -44.04 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.1 -127.99 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 87.8 m95 -120.42 114.1 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.41 -156.5 9.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -51.21 163.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -136.07 140.37 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.2 121.25 36.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 121.64 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.56 127.49 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 99' ' ' LEU . 2.4 mt -93.46 148.91 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.5 p -153.07 126.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.58 151.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -104.72 111.47 24.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 t -176.15 169.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -88.85 -44.48 10.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.9 164.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -146.87 143.52 28.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 p -164.67 168.1 18.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -109.86 103.23 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 155.51 42.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.9 p -145.18 161.78 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.68 96.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.06 171.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -162.78 169.6 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.31 -171.3 34.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 p -171.33 156.02 4.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.4 164.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.91 116.43 0.51 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 137.94 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 pt -121.08 174.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.91 131.95 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 p30 168.84 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.3 91.58 0.99 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.5 p -179.11 79.91 0.21 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t 39.32 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.043 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -81.11 146.09 57.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.619 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 159.09 41.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.95 155.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -120.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.4 126.36 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.64 80.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.542 HG22 ' HG ' ' A' ' 24' ' ' LEU . 1.3 m -75.35 -72.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' HG22 ' A' ' 23' ' ' THR . 74.6 mt -136.5 157.15 47.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -104.5 106.95 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -169.43 154.59 5.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -66.07 160.2 65.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.97 178.41 7.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.17 -169.21 34.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.03 137.16 21.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 110.79 3.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -91.36 161.39 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 42.49 6.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.888 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.3 mm -88.2 103.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.888 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.7 mm? -129.41 158.35 39.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 118' ' ' VAL . 81.6 m-85 -120.92 93.54 48.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.98 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.8 tt0 -118.9 111.95 19.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -139.77 119.36 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.9 mtp180 -107.15 -161.5 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.0 OUTLIER -69.06 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 92' ' ' LEU . 45.6 p -77.33 5.37 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -140.27 129.45 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.049 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -139.76 163.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.3 ttm180 -147.43 115.08 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -116.24 169.7 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -133.94 169.06 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.547 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 34.2 p90 -160.82 -176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.73 162.74 44.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 154.14 42.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.568 1.825 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.0 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.01 -29.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 85.0 16.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -36.86 2.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.0 42.34 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.99 129.04 1.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -58.17 129.28 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 ' CE1' ' A' ' 61' ' ' TYR . 23.3 mm -76.13 134.59 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.5 -23.72 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.14 -171.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -137.87 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.661 HE21 HG21 ' A' ' 77' ' ' VAL . 2.4 tt0 -139.07 131.92 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.52 104.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.835 HG22 ' HB ' ' A' ' 77' ' ' VAL . 18.7 p -93.18 125.87 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.65 124.36 49.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 28.2 ptt180 -151.15 153.12 34.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.7 mt -78.13 125.91 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.505 ' ND2' HD21 ' A' ' 117' ' ' LEU . 3.5 t30 -69.28 -10.49 58.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' THR . 14.9 p -147.58 85.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 179.14 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 p 45.97 92.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.75 -179.77 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -41.75 -52.96 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -166.39 168.69 14.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 74' ' ' THR . . . -97.43 113.11 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.7 m -71.2 98.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.835 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -85.48 151.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -124.61 135.91 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -92.62 129.05 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.953 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.6 mt -107.84 172.2 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.1 167.48 35.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.5 p -118.71 34.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.68 132.8 44.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -24.37 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 47' ' ' ILE . 7.0 pt20 -145.98 166.23 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.621 ' HD2' HD21 ' A' ' 80' ' ' LEU . 17.5 t80 -147.16 137.7 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.5 m -100.04 131.01 46.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.787 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.22 144.95 31.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 p -148.08 146.22 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.56 50.23 4.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.667 ' O ' HG22 ' A' ' 42' ' ' THR . 1.2 mt -118.35 161.97 19.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -92.62 129.28 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.02 162.08 37.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 64.06 45.71 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 57.5 m -152.77 -175.36 5.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 119' ' ' VAL . 13.5 t -128.07 132.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 67' ' ' LEU . 25.6 m-85 -119.82 133.76 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' A' ' 115' ' ' GLU . 1.5 tm? -94.59 117.65 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 19.5 m-85 -100.16 112.56 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.8 ttp180 -103.0 112.3 25.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' A' ' 31' ' ' PRO . 26.5 mt -98.41 136.73 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.8 m -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -114.28 157.12 23.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.8 tt0 -118.71 125.41 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.429 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.4 p -123.88 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -78.56 -4.7 50.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.705 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -103.5 -30.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.39 -143.06 12.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 79.6 m95 -108.86 120.42 42.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.67 -153.04 17.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -50.77 165.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.89 138.06 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.15 121.9 37.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.56 ' CB ' HD21 ' A' ' 99' ' ' LEU . 10.3 mt-10 -99.64 123.58 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -133.11 127.06 33.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.505 HD21 ' ND2' ' A' ' 68' ' ' ASN . 1.8 mt -94.52 140.58 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.1 p -145.27 123.44 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.07 HG22 HG22 ' A' ' 97' ' ' VAL . 3.2 t -80.69 154.65 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 41' ' ' THR . 5.8 p -103.31 111.25 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 119' ' ' VAL . 2.9 t -176.99 172.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.36 -24.1 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -80.25 160.6 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.36 154.4 31.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.52 169.99 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.52 119.47 0.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.25 6.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -161.47 146.31 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.3 p -166.75 137.63 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -147.56 -59.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.57 146.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.52 -139.58 9.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m 56.96 76.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -162.36 145.23 11.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 119.82 3.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.48 140.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 pt -110.37 -176.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.43 163.8 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -161.78 151.85 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.8 138.87 5.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.44 96.27 0.3 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.81 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.2 p -177.16 138.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 153.44 18.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.25 22.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.792 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.84 134.19 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tt -173.73 87.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.03 112.38 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -166.52 86.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.4 p -52.47 -56.78 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.85 144.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.64 90.55 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER 178.34 152.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 27' ' ' VAL . 3.4 m -69.08 160.23 79.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.73 8.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.31 -168.1 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.04 133.07 16.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.561 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.96 109.62 2.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -89.43 164.3 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.46 49.81 4.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.4 mm -97.08 109.36 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' ILE . 70.5 mt -129.92 149.23 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 64.4 m-85 -113.93 92.01 24.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.95 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ARG . 41.3 tt0 -113.91 114.74 26.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 36' ' ' PHE . 63.7 t -140.88 110.53 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 mtp85 -104.62 -164.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.9 OUTLIER -69.01 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.426 HG22 ' HD3' ' A' ' 94' ' ' PRO . 12.3 p -90.57 24.82 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.1 p -159.07 130.96 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.801 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -141.12 174.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . 4.2 ttm-85 -162.05 105.58 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 102' ' ' ILE . 1.1 pt? -104.48 169.54 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -138.22 130.89 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.742 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.7 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -135.3 162.41 57.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 149.92 37.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.02 120.35 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.77 -28.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.34 84.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 39.47 42.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.36 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.8 mm -49.83 131.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.863 HG21 ' CE1' ' A' ' 61' ' ' TYR . 10.8 mm -84.02 125.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -97.53 -20.46 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.22 -169.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.863 ' CE1' HG21 ' A' ' 58' ' ' ILE . 28.8 m-85 -142.4 173.32 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 32.8 tt0 -138.57 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.9 119.12 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.419 HG22 HG22 ' A' ' 77' ' ' VAL . 21.2 p -115.23 129.96 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -128.34 133.13 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 33.8 ptt180 -162.08 135.7 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.669 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -37.8 126.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.525 ' CG ' HD21 ' A' ' 117' ' ' LEU . 64.7 t30 -64.49 -10.84 28.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -148.48 84.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 177.44 -43.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p 42.89 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.89 175.08 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -43.2 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -152.28 175.73 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' N ' HG23 ' A' ' 74' ' ' THR . . . -116.81 134.64 54.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -64.0 103.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.453 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 82.6 t -99.66 135.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -132.13 135.96 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.2 t -97.32 126.24 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.963 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -106.8 171.08 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.39 167.35 37.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 -4.11 14.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 35.18 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.66 121.75 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -15.16 14.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.435 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -149.1 165.63 31.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 63' ' ' ILE . 26.9 t80 -149.86 143.32 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.3 m -102.15 121.55 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.801 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -104.36 115.56 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.3 p -114.26 163.32 15.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.52 65.14 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -124.55 162.07 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 10.9 ttmt -92.13 125.76 55.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.93 163.57 35.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 60.87 44.04 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -151.8 -178.63 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.938 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 119' ' ' VAL . 25.7 t -122.34 130.82 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.669 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 7.3 m-85 -117.21 127.42 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 115' ' ' GLU . 0.6 OUTLIER -93.55 113.75 25.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 11.7 m-85 -95.61 116.51 28.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.41 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 2.8 ttp180 -105.86 111.25 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.742 HD13 ' HB3' ' A' ' 48' ' ' TRP . 21.6 mt -97.15 137.15 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -148.06 154.57 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -108.67 157.33 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 43.3 tt0 -116.98 120.5 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.5 p -122.98 178.07 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -62.04 -20.11 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 6.4 mmmt -84.57 -38.98 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 147.99 -132.54 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.5 m95 -114.24 116.92 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.427 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -81.79 -154.99 13.88 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -49.22 167.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -138.96 132.7 30.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -90.52 120.38 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.853 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp0 -96.32 125.89 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.509 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -136.71 120.11 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.3 mt -87.9 145.92 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 p -150.47 127.81 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.953 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -84.58 158.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 41' ' ' THR . 2.1 p -114.0 114.63 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.3 t -176.7 170.59 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -87.85 -37.65 16.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -69.56 171.7 8.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -54.42 2.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.22 159.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.77 123.77 0.9 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.06 32.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.0 p -174.14 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -74.89 163.99 27.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.97 167.98 4.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 0.757 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.29 170.16 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.47 175.12 37.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -163.69 170.34 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.747 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -137.12 165.18 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.1 160.41 33.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 99.59 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -121.31 161.71 21.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.68 -175.14 31.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -169.36 123.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.33 130.5 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m 178.72 154.59 0.55 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -53.01 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.449 1.762 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t 71.28 84.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -80.52 160.04 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.03 145.46 31.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.4 mt -96.89 131.24 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.48 84.88 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -148.77 62.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.82 84.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.06 -60.13 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.15 174.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.01 129.74 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.95 152.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG13 ' HB3' ' A' ' 108' ' ' LYS . 6.5 m -43.26 158.98 0.23 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 157.37 42.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.437 1.756 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.41 -171.23 21.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -75.04 141.08 26.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.95 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -90.54 160.35 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 88.45 44.87 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.6 mm -89.08 101.71 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.4 mm? -126.75 151.05 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE2' HG11 ' A' ' 118' ' ' VAL . 86.8 m-85 -115.19 89.42 20.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.712 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.6 tt0 -124.3 107.75 11.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.36 115.14 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' SER . 23.1 mtp180 -104.52 -162.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -73.25 -83.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 92' ' ' LEU . 62.4 p -88.66 26.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 44.6 m -166.43 118.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 m -128.67 167.6 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.5 ttm-85 -155.66 115.21 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -113.34 169.93 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.75 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -137.61 139.74 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 32.1 p90 -129.29 -178.73 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -135.45 162.63 56.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.98 152.36 40.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.772 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.76 -31.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.51 86.0 17.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.23 42.96 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.16 126.63 1.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.26 127.65 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' TYR . 30.5 mm -73.51 133.6 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 106' ' ' THR . 3.7 mp -102.74 -27.12 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 178.24 -169.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.718 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.1 m-85 -142.62 172.53 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.1 tt0 -137.72 132.97 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.92 107.45 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.78 HG22 ' HB ' ' A' ' 77' ' ' VAL . 15.6 p -98.36 125.98 43.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 76' ' ' THR . 2.7 p80 -118.16 134.25 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.708 HH11 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -161.9 156.24 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 98' ' ' TYR . 13.3 mt -81.54 120.05 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -57.95 -16.92 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' THR . 31.2 p -138.21 -158.0 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 67' ' ' LEU . 1.3 t 50.95 175.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.8 OUTLIER -76.28 155.54 34.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 71' ' ' THR . . . 179.34 118.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -54.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.6 p -145.11 -167.69 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -118.1 117.14 28.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' A' ' 65' ' ' HIS . 53.5 m -77.34 99.91 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.78 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -90.05 152.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.7 tt0 -129.27 136.26 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -88.69 127.41 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -108.16 172.26 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.66 168.17 28.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 -5.04 16.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.32 34.87 4.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.42 130.36 47.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 -24.85 9.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.75 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -145.53 159.25 43.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.652 ' HD2' HD21 ' A' ' 80' ' ' LEU . 19.3 t80 -143.59 135.79 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 50.0 m -93.42 124.21 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.797 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.98 114.92 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -116.94 156.94 26.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.37 52.69 5.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 98' ' ' TYR . 2.7 mt -120.11 160.39 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.3 130.83 29.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.03 161.1 39.21 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 66.2 44.21 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.564 ' HB3' HD22 ' A' ' 67' ' ' LEU . 16.0 m -152.34 -174.44 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 119' ' ' VAL . 7.2 t -127.76 134.59 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 67' ' ' LEU . 20.0 m-85 -122.08 131.21 53.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -94.73 119.01 32.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.669 ' N ' HD22 ' A' ' 99' ' ' LEU . 17.4 m-85 -102.06 112.1 24.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 7.0 ttp180 -103.22 110.44 22.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.628 HG22 ' HG3' ' A' ' 31' ' ' PRO . 24.0 mt -97.61 136.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 112' ' ' GLU . 18.5 m -148.18 154.33 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -106.15 161.04 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 35.4 tt0 -124.63 121.54 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.515 ' HA ' HD13 ' A' ' 59' ' ' LEU . 1.3 p -121.46 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.412 ' CG ' ' HD3' ' A' ' 108' ' ' LYS . 21.4 ptt180 -75.91 0.01 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.524 ' HB3' HG13 ' A' ' 27' ' ' VAL . 2.5 mppt? -99.92 -48.05 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 161.02 -119.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 93.0 m95 -130.61 108.21 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -72.6 -159.38 4.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -51.02 167.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' CB ' ' OG1' ' A' ' 103' ' ' THR . . . -138.34 144.98 40.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -99.04 118.94 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.744 ' CG ' HD21 ' A' ' 99' ' ' LEU . 2.0 mt-10 -98.41 120.52 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.502 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.8 124.17 27.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 3.3 mt -91.3 141.22 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.597 HG11 ' CE2' ' A' ' 36' ' ' PHE . 8.0 p -145.75 126.25 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.875 HG22 HG22 ' A' ' 97' ' ' VAL . 3.3 t -80.62 148.19 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 41' ' ' THR . 4.1 p -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.763 HG22 HG12 ' A' ' 119' ' ' VAL . 3.1 t -177.33 169.74 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.62 -20.49 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -81.2 138.0 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 127.67 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 m 62.5 125.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.09 -147.13 5.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.13 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m -120.82 142.89 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.92 94.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -165.71 112.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 t -99.63 163.89 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.15 174.45 39.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.81 127.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 p -172.76 168.82 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.68 167.2 36.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 158.71 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 9' ' ' ILE . 1.6 pp -113.26 174.31 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' N ' HD12 ' A' ' 9' ' ' ILE . . . 142.27 145.67 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 179.9 167.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.61 164.85 38.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -176.77 99.5 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.62 25.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.464 1.771 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.05 150.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -61.41 131.11 92.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 148.79 35.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.07 -175.5 2.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -48.9 156.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.18 60.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 1.9 tp10 179.55 115.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 164.13 95.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.58 -63.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.726 ' C ' HD23 ' A' ' 24' ' ' LEU . 3.5 tt -126.62 119.86 28.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.508 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -179.27 131.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 2.3 m-20 82.49 152.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 108' ' ' LYS . 1.6 m -56.57 162.58 3.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.66 22.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.65 -169.29 45.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.02 136.03 19.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.709 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.96 107.51 2.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -89.07 163.27 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.77 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.3 mm -89.39 104.12 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.2 mm? -125.93 155.14 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 61.8 m-85 -118.3 91.51 40.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.01 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' ARG . 42.0 tt0 -113.78 113.02 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.604 HG11 ' CG2' ' A' ' 118' ' ' VAL . 54.0 t -140.06 118.7 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' SER . 16.6 mtp180 -114.76 -163.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.2 p -68.34 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 92' ' ' LEU . 68.2 p -89.93 24.05 2.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -157.68 129.68 7.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -142.35 172.52 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.3 ttm-85 -160.7 106.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -106.35 169.43 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -137.15 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.646 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -133.47 174.75 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.19 160.55 66.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.02 151.76 39.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.483 1.781 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.02 123.19 7.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.62 -32.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.19 83.98 16.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -74.95 -34.94 3.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.8 49.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.86 109.44 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 HD12 ' A' ' 24' ' ' LEU . 1.2 mp -45.22 107.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.925 HG21 ' CE1' ' A' ' 61' ' ' TYR . 34.6 mm -52.88 125.35 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.7 mt -98.24 -24.09 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.94 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 177.26 -170.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.925 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.7 m-85 -142.25 172.75 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CD ' ' CG1' ' A' ' 77' ' ' VAL . 34.5 tt0 -137.37 135.35 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.705 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -126.43 121.32 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -117.0 123.59 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -124.02 128.32 49.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' LEU . 26.7 ptt180 -161.55 137.75 8.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.6 OUTLIER -38.24 125.32 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.604 ' CG ' HD21 ' A' ' 117' ' ' LEU . 65.4 t30 -62.81 -12.56 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.425 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 37.6 p -151.48 95.98 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -178.01 178.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 70' ' ' THR . 76.6 p -130.46 115.25 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.93 173.48 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -64.59 -48.64 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -168.11 168.49 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' HG23 ' A' ' 74' ' ' THR . . . -94.05 130.62 40.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 m -64.95 98.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.489 ' CG1' ' CD ' ' A' ' 62' ' ' GLN . 76.3 t -87.26 132.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 2.3 tt0 -126.1 135.86 52.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.94 128.93 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.94 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -107.96 172.44 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.58 168.88 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.01 -7.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -114.16 33.41 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.968 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.47 118.63 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -16.75 14.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 47' ' ' ILE . 3.1 pt20 -147.21 157.91 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.818 ' HD1' HD21 ' A' ' 80' ' ' LEU . 67.3 t80 -143.8 134.4 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -93.0 117.09 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.821 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -99.45 114.14 26.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -113.09 158.15 20.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.81 3.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.795 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -122.51 159.04 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.6 ttmm -89.46 125.08 62.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.99 160.01 40.72 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.99 41.3 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -148.45 -174.32 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 119' ' ' VAL . 10.7 t -127.76 125.22 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.674 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.4 m-85 -111.36 129.33 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -93.42 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.535 ' N ' HD22 ' A' ' 99' ' ' LEU . 14.3 m-85 -99.74 112.87 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.4 ttp180 -103.78 111.3 23.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.646 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.1 mt -97.54 138.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.6 m -148.49 157.1 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -110.49 160.29 16.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 38.6 tt0 -123.55 121.62 36.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -123.09 -169.32 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.34 -13.52 60.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.1 mmmt -91.25 -36.82 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.3 -129.28 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.8 m95 -118.3 115.75 25.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.411 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -76.79 -153.38 5.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -53.27 169.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.96 134.14 34.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.77 118.66 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' CG ' HD21 ' A' ' 99' ' ' LEU . 8.3 mt-10 -96.15 128.28 42.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.52 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -137.52 125.64 22.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.604 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.5 mt -92.57 145.89 24.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' HG11 ' A' ' 39' ' ' VAL . 7.3 p -151.13 126.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 97' ' ' VAL . 3.7 t -86.94 151.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' PRO . 3.9 p -98.87 110.32 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.563 HG22 HG12 ' A' ' 119' ' ' VAL . 2.5 t -178.17 171.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' LYS . 56.5 mt-10 -94.6 -47.6 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.8 OUTLIER 38.27 -155.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -161.26 -64.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.1 170.99 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -132.36 96.72 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.48 5.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.2 t -134.58 139.23 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.71 153.8 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p 177.18 141.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -168.62 169.11 10.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.29 152.84 5.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.02 125.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -167.88 170.45 10.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.052 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.2 134.53 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -173.97 141.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.0 157.53 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.25 98.97 2.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -179.69 161.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.24 106.43 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -178.81 96.96 0.21 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.028 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 p -114.85 157.73 22.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 165.61 27.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.55 39.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.44 20.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -84.25 131.94 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.13 107.24 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.29 80.59 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 171.25 106.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -47.17 -71.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -134.23 -161.84 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' CG ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -176.3 168.8 2.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER 71.5 161.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -87.91 160.59 46.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.05 166.29 29.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.35 -164.07 39.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.2 Cg_endo -75.02 134.76 18.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 108.23 2.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -91.77 163.47 14.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.32 6.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.825 ' C ' HD22 ' A' ' 35' ' ' LEU . 4.2 mm -88.5 104.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 34' ' ' ILE . 1.9 mm? -128.88 158.35 39.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 118' ' ' VAL . 72.5 m-85 -121.33 92.87 48.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 45' ' ' ARG . 59.0 tt0 -118.42 112.41 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.32 115.76 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' SER . 17.5 mtp180 -104.71 -162.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.2 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 92' ' ' LEU . 74.9 p -89.34 27.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 3.3 p -166.97 115.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -126.41 165.48 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.33 117.2 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -119.31 168.51 10.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.849 HG22 ' HB3' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -135.59 157.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.526 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 37.1 p90 -146.5 175.37 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.74 163.43 50.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 151.77 39.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.04 119.15 5.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . . . -40.09 -30.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.38 84.19 17.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.23 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 9.3 m-80 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.53 126.27 2.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -54.32 123.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 ' CE1' ' A' ' 61' ' ' TYR . 36.9 mm -68.25 127.78 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.0 mp -93.63 -27.04 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.32 -169.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.843 ' CE1' HG21 ' A' ' 58' ' ' ILE . 15.2 m-85 -141.41 170.8 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.7 tt0 -134.74 131.89 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.657 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.37 111.58 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -107.76 132.12 53.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.511 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 2.1 p-80 -127.61 139.0 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HD2' ' HB2' ' A' ' 75' ' ' ALA . 1.4 ptm180 -161.66 154.57 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 98' ' ' TYR . 11.3 mt -72.58 108.16 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -47.34 -30.02 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.7 p -148.32 116.83 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.634 HG21 ' HB2' ' A' ' 67' ' ' LEU . 9.7 t -174.89 -152.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.537 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 24.2 p -100.4 139.91 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 71' ' ' THR . . . 73.37 179.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -139.39 96.67 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 p -150.63 140.9 22.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' ' 66' ' ' ARG . . . -129.04 131.98 47.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 37.8 m -82.44 97.73 8.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.401 HG13 ' CG ' ' A' ' 62' ' ' GLN . 69.7 t -82.79 135.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -135.01 136.41 42.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -95.24 133.0 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.951 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mt -117.51 172.11 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.74 165.65 47.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 0.15 9.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -121.47 34.25 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.27 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -102.67 -23.94 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.849 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.3 pt20 -146.17 163.3 35.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' HD2' HD21 ' A' ' 80' ' ' LEU . 3.3 t80 -149.01 126.36 11.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -83.85 127.39 33.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.723 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.86 115.24 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.1 p -116.67 154.88 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.21 50.77 5.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 2.9 mt -117.32 154.4 31.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' OG ' ' A' ' 96' ' ' SER . 12.9 ttpt -85.09 129.52 55.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.0 Cg_endo -75.04 155.04 42.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 65.96 44.22 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.601 ' O ' HG22 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -141.47 -169.09 2.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 119' ' ' VAL . 66.0 t -134.98 103.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.723 ' CE1' HD21 ' A' ' 67' ' ' LEU . 18.0 m-85 -96.05 126.56 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -92.19 122.43 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 46' ' ' LEU . 17.5 m-85 -101.95 113.16 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.4 ttp180 -102.68 111.79 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.504 HG22 ' CG ' ' A' ' 31' ' ' PRO . 37.3 mt -99.82 139.29 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.3 m -148.51 162.06 40.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -120.13 155.28 33.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 8.4 tt0 -121.08 126.33 49.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 p -121.96 -170.23 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -76.74 -2.21 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 mmmt -105.45 -43.6 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.1 -163.45 31.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.6 m95 -89.78 119.37 30.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.19 -152.35 7.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -52.92 173.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -142.73 128.9 19.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -91.61 118.91 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.568 ' CB ' HD21 ' A' ' 99' ' ' LEU . 5.4 mt-10 -97.68 126.43 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 36' ' ' PHE . . . -133.38 122.3 23.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 97' ' ' VAL . 1.8 mt -91.47 139.2 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 36' ' ' PHE . 9.1 p -144.68 124.63 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 97' ' ' VAL . 6.7 t -86.27 146.99 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.7 p -96.87 117.31 30.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.2 t -175.28 169.77 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -95.86 -19.87 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.32 147.45 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -170.3 130.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.4 97.79 2.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.0 145.23 41.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.25 157.67 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 p -172.89 169.76 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 0.731 . . . . 0.0 109.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.91 158.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.77 142.13 10.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -117.58 -59.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.951 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.6 -59.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.44 -129.85 6.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -174.19 128.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 10' ' ' GLY . 8.7 mt -106.96 -80.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 9' ' ' ILE . . . 75.54 128.54 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.6 134.99 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.09 118.97 1.0 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.6 p -173.22 102.57 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.04 -67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.92 155.68 5.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.552 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.67 42.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 158.77 41.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 20' ' ' LEU . 24.8 mt -72.53 164.14 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mp -68.9 -128.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.71 171.08 14.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.29 86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -86.4 -66.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.6 115.45 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.76 119.16 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.63 152.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 4.7 m -41.79 159.93 0.17 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.25 18.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.88 -170.19 46.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.97 135.57 19.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -92.69 163.38 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 42.47 6.06 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.616 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -90.21 99.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.3 mm? -124.68 150.21 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -114.47 90.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -74.99 -48.52 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ARG . 26.4 tt0 -112.32 116.89 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 36' ' ' PHE . 73.4 t -142.91 129.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' SER . 13.6 mmt-85 -128.18 -169.76 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -66.25 -60.52 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 92' ' ' LEU . 63.3 p -123.49 40.08 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.8 p -171.79 97.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.8 m -115.1 174.72 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ttm-85 -164.44 104.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -101.37 169.36 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.52 132.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' A' ' 102' ' ' ILE . 30.3 p90 -124.18 -176.83 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -140.97 162.96 45.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 149.92 37.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.05 120.03 5.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.73 -29.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.59 85.66 17.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.02 -34.6 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 39.13 42.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.0 150.31 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -78.5 106.54 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.716 HG21 ' HE1' ' A' ' 61' ' ' TYR . 46.0 mm -57.91 116.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 19.9 mt -95.76 -25.87 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.933 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.36 -175.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.716 ' HE1' HG21 ' A' ' 58' ' ' ILE . 10.3 m-85 -134.46 175.15 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 33.6 tt0 -140.21 133.96 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -126.23 111.02 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.831 HG22 ' HB ' ' A' ' 77' ' ' VAL . 12.1 p -103.81 129.28 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -126.52 125.41 41.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -159.61 135.21 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -40.0 130.48 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . 62.9 t30 -68.55 -8.46 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.439 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 15.0 p -151.0 89.91 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -178.71 178.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.457 ' N ' HG23 ' A' ' 70' ' ' THR . 65.7 p -139.21 159.33 42.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.71 -68.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 74' ' ' THR . 2.8 t30 170.5 -39.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 73' ' ' ASN . 16.5 p -155.7 -167.12 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 77' ' ' VAL . . . -128.26 130.92 48.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 m -70.14 87.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.831 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -89.81 158.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.98 135.8 36.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.64 132.86 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.933 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.7 mt -113.35 171.75 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 166.56 41.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.705 ' HB3' HG22 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.7 p -119.15 33.38 5.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.02 119.23 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.32 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.454 ' CB ' HG22 ' A' ' 47' ' ' ILE . 3.9 pt20 -150.73 159.34 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.678 ' HD1' HD21 ' A' ' 80' ' ' LEU . 42.3 t80 -144.99 148.65 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.2 m -111.18 123.29 49.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.802 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -101.83 131.45 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.1 p -124.04 151.83 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.52 55.8 8.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' THR . 1.7 mt -113.15 145.8 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.71 123.93 88.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.07 164.22 33.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 51.74 35.52 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -134.24 -172.41 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 119' ' ' VAL . 37.8 t -125.88 126.66 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.677 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 6.3 m-85 -116.89 127.02 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -94.29 111.59 23.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 46' ' ' LEU . 13.5 m-85 -93.76 113.04 25.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.424 ' CD ' ' CG ' ' A' ' 115' ' ' GLU . 2.9 ttp85 -102.83 111.23 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 46' ' ' LEU . 24.6 mt -98.79 137.6 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.7 m -148.1 159.64 43.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -119.56 140.68 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 tt0 -103.84 125.87 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 4.9 p -124.04 -168.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -73.56 -9.62 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -97.06 -37.01 10.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 145.72 -138.69 7.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 89.8 m95 -109.37 111.94 23.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -77.88 -150.14 4.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -52.25 166.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.29 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.61 117.37 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.652 ' HB3' HD21 ' A' ' 99' ' ' LEU . 12.5 mt-10 -97.9 124.48 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -132.98 124.76 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 2.1 mt -92.34 135.73 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 36' ' ' PHE . 7.1 p -138.56 125.84 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.93 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -89.04 139.09 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 41' ' ' THR . 24.0 p -92.65 122.76 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 120' ' ' THR . 7.7 t -176.21 168.14 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -85.01 -45.57 12.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.5 136.32 56.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.85 173.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.15 80.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 159.5 -75.16 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.51 174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.3 p -132.09 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.62 145.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -173.72 168.42 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.0 151.43 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.09 162.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -166.99 162.39 15.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.91 155.44 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 101.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -109.45 136.07 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.63 155.02 23.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.22 162.48 4.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.806 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.29 138.91 4.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.33 80.04 1.07 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.69 10.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -62.54 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 t-80 66.45 145.21 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 16' ' ' HIS . 18.5 Cg_endo -75.01 158.07 42.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.34 5.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.7 mt -90.64 143.21 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -131.19 76.38 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.4 84.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -147.51 87.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 m -80.12 -77.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -98.55 138.81 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.45 168.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -167.71 155.1 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.5 m -48.01 159.68 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.05 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.14 -171.11 24.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.02 133.51 16.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.597 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 107.66 2.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -89.21 161.17 16.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.48 43.55 5.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.0 mm -91.85 104.16 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 34' ' ' ILE . 2.1 mm? -128.16 155.39 44.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 81.1 m-85 -118.83 93.15 45.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.0 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' ARG . 47.8 tt0 -117.36 111.17 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.4 118.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . 18.7 mtp180 -109.64 -163.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 1.1 p -67.54 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 92' ' ' LEU . 49.1 p -88.14 25.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.5 p -160.65 116.65 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -129.91 167.16 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLU . 11.8 ttm-85 -151.38 105.24 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -106.15 169.59 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.04 154.57 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' HB3' HD13 ' A' ' 102' ' ' ILE . 35.8 p90 -144.34 179.96 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -136.79 162.65 54.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.04 150.06 37.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.1 Cg_endo -75.03 120.35 6.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.75 -27.48 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.3 86.71 18.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.04 -31.79 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 18.0 p30 38.19 36.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.83 130.51 1.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 106' ' ' THR . 1.0 OUTLIER -57.28 133.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 61' ' ' TYR . 18.0 mm -80.87 130.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -98.68 -22.13 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.25 -171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.1 m-85 -140.29 167.38 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 31.7 tt0 -132.47 135.37 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -126.14 108.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.807 HG22 ' HB ' ' A' ' 77' ' ' VAL . 6.5 p -104.05 133.71 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -131.76 133.8 45.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LEU . 19.1 ptt85 -162.53 133.68 5.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.681 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -38.34 126.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.726 ' CG ' HD21 ' A' ' 117' ' ' LEU . 45.5 t30 -70.71 -5.62 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.452 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 17.9 p -150.86 69.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER 173.51 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.657 HG23 ' N ' ' A' ' 72' ' ' ALA . 3.6 t 36.1 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.657 ' N ' HG23 ' A' ' 71' ' ' THR . . . 177.29 -173.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.693 ' O ' HG23 ' A' ' 74' ' ' THR . 5.2 p-10 -55.77 -30.1 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 73' ' ' ASN . 2.4 p -159.76 -171.56 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.13 134.27 47.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 m -80.67 85.2 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.807 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -86.92 158.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -133.83 135.75 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.9 t -90.99 137.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.9 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.5 mt -119.21 171.97 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -77.83 168.14 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -9.1 20.66 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -113.01 32.38 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.28 124.18 44.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -26.77 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 3.0 pt20 -144.73 161.95 37.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.69 ' HD1' HD21 ' A' ' 80' ' ' LEU . 28.6 t80 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.3 m -115.63 124.65 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -105.91 114.48 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -113.94 152.52 30.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.96 58.06 4.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' THR . 1.6 mt -118.73 153.51 34.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -83.48 125.04 74.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 120' ' ' THR . 18.4 Cg_endo -74.92 161.7 38.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 62.62 38.31 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -145.87 -175.93 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.073 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 119' ' ' VAL . 11.3 t -125.42 129.28 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.681 ' CE1' ' CD2' ' A' ' 67' ' ' LEU . 8.1 m-85 -114.6 128.06 56.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.723 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -90.13 110.6 21.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.599 ' N ' HD22 ' A' ' 99' ' ' LEU . 11.5 m-85 -93.93 112.76 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HG2' ' HB1' ' A' ' 113' ' ' ALA . 4.9 ttp-105 -104.14 112.84 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 48' ' ' TRP . 35.0 mt -99.22 138.59 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.2 m -148.28 160.39 43.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.706 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.46 152.24 33.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.1 tt0 -114.19 123.97 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 57' ' ' ILE . 2.0 p -123.87 -168.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -78.88 1.7 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HB2' HG13 ' A' ' 27' ' ' VAL . 9.3 mmmt -108.49 -31.41 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.0 -135.32 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 90.4 m95 -114.27 112.83 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.27 -152.93 6.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 103' ' ' THR . 0.2 OUTLIER -47.74 166.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -140.44 134.97 31.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' PRO . . . -94.77 118.88 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.723 ' CG ' HD21 ' A' ' 99' ' ' LEU . 3.2 mt-10 -97.69 126.11 42.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 36' ' ' PHE . . . -135.26 128.07 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.726 HD21 ' CG ' ' A' ' 68' ' ' ASN . 1.6 mt -93.85 141.32 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 8.8 p -146.6 121.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.048 HG22 HG22 ' A' ' 97' ' ' VAL . 3.0 t -83.22 147.26 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 94' ' ' PRO . 20.8 p -98.6 116.66 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 119' ' ' VAL . 2.1 t -177.89 171.42 1.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.83 -20.62 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -83.14 162.75 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 157.15 42.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.56 172.21 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -155.83 153.8 25.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 140.78 25.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.11 85.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.8 t 73.64 -58.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.22 148.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.15 170.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.46 153.99 25.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.36 167.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.95 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -160.83 163.08 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.15 -135.63 11.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 51.82 89.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 pp -123.97 166.64 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 131.56 5.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.51 137.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.61 126.94 3.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 p 179.79 85.64 0.19 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 p 173.11 160.6 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -141.96 147.28 44.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.96 145.6 31.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.03 159.56 41.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.59 131.44 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.92 106.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 176.56 98.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.87 102.37 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -68.4 -48.08 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.15 152.45 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -169.89 -179.86 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.721 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.1 m -90.8 160.77 37.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.89 -167.7 30.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.96 134.16 17.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 106.58 2.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -87.76 160.37 18.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.69 45.06 5.01 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 31' ' ' PRO . 5.9 mm -91.8 115.57 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.807 ' O ' HD13 ' A' ' 47' ' ' ILE . 91.0 mt -140.52 157.55 45.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 118' ' ' VAL . 94.0 m-85 -121.17 93.72 48.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.2 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.5 tt0 -117.92 111.26 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -140.14 114.07 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -101.47 -161.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -76.06 -81.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.456 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.1 p -87.28 23.05 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 72.2 m -165.64 128.64 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.678 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -137.44 168.72 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 38' ' ' GLU . 14.5 ttm180 -152.45 109.11 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.595 HD11 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -109.04 169.57 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -135.1 165.45 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 29.3 p90 -159.19 178.48 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -135.23 162.89 54.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.99 152.58 40.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -75.06 124.87 8.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.79 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.77 84.98 21.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 41.99 45.24 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.55 127.67 1.47 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.35 130.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.981 HG21 ' CE1' ' A' ' 61' ' ' TYR . 13.7 mm -78.33 129.59 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 179.0 -162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.981 ' CE1' HG21 ' A' ' 58' ' ' ILE . 19.2 m-85 -148.96 171.28 16.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.593 HE21 HG21 ' A' ' 77' ' ' VAL . 25.3 tt0 -138.07 132.98 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.726 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -125.59 107.63 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.767 HG22 ' HB ' ' A' ' 77' ' ' VAL . 11.6 p -98.27 160.04 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 p-80 -156.85 131.63 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -162.08 131.15 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -37.2 119.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.419 ' CG ' HD21 ' A' ' 117' ' ' LEU . 64.2 t30 -50.58 -20.21 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 67' ' ' LEU . 24.1 p -148.1 -126.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' N ' ' A' ' 71' ' ' THR . 0.5 OUTLIER 46.15 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.715 ' N ' HG23 ' A' ' 70' ' ' THR . 41.2 p -68.99 92.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.36 150.58 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' O ' ' OG1' ' A' ' 74' ' ' THR . 1.6 t-20 -165.46 93.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 73' ' ' ASN . 51.5 p 49.93 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 122.47 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 m -87.95 86.72 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.767 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -92.74 154.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -132.57 136.28 46.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -85.33 131.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mt -113.27 170.6 8.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.03 166.5 41.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -74.99 -1.55 11.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.02 35.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.87 126.97 51.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 -27.71 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 10.4 pt20 -142.56 162.06 36.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.709 ' HD1' HD21 ' A' ' 80' ' ' LEU . 43.4 t80 -142.53 150.62 40.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.6 m -107.9 124.97 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -106.21 118.4 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.0 p -118.41 154.23 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.71 58.35 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.5 mt -119.83 164.1 16.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 6.1 ttmm -92.39 128.05 46.27 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HB3' HG22 ' A' ' 41' ' ' THR . 18.1 Cg_endo -74.99 161.99 37.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 58.2 43.72 20.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.546 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -150.52 167.95 25.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 119' ' ' VAL . 3.0 t -109.61 129.02 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.732 ' CE1' HD21 ' A' ' 67' ' ' LEU . 7.1 m-85 -114.73 123.87 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -86.01 109.64 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.532 ' CD2' HD22 ' A' ' 46' ' ' LEU . 10.8 m-85 -93.65 114.49 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.8 ttp180 -105.85 113.47 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.595 HD11 HD11 ' A' ' 46' ' ' LEU . 22.7 mt -98.77 138.61 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.6 m -148.93 159.74 43.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -115.03 159.23 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.3 tt0 -120.34 125.51 48.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -123.86 -170.84 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -80.56 2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HB2' HG13 ' A' ' 27' ' ' VAL . 11.0 mmmt -111.52 -28.7 8.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 143.7 -144.54 13.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 85.8 m95 -108.59 118.48 36.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.95 -152.61 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.9 172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -144.19 130.75 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.19 118.68 31.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 99' ' ' LEU . 5.3 mt-10 -95.94 127.21 41.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -135.55 127.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 68' ' ' ASN . 3.1 mt -94.9 136.79 34.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 36' ' ' PHE . 13.1 p -142.61 123.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 97' ' ' VAL . 2.8 t -80.57 148.81 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 p -95.03 106.83 18.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.584 HG22 HG12 ' A' ' 119' ' ' VAL . 3.6 t -174.27 177.58 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' N ' ' OG1' ' A' ' 121' ' ' THR . 26.8 mt-10 -88.99 -36.96 15.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 177.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 147.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 m -166.75 91.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -40.93 100.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.15 7.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 90.7 p -137.97 160.9 38.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 t -178.75 159.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -166.1 137.32 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.69 153.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.65 112.82 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.86 96.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.28 149.93 47.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.05 175.75 20.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.04 147.39 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 mm 64.11 117.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.83 79.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.99 152.13 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.41 162.63 24.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.7 93.17 6.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.99 41.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 165.35 22.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.94 137.39 65.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 151.37 39.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 115.08 4.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mt -40.34 135.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.56 110.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.24 171.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 78.68 4.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -85.06 -57.42 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 24' ' ' LEU . 2.3 mm? -93.12 171.41 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -109.0 128.43 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 176.85 155.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 6.5 m -47.42 159.49 0.42 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.01 -174.18 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.72 -176.38 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.95 138.66 23.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.07 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -90.04 161.87 15.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 45.36 4.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.173 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.3 mm -90.46 113.95 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 47' ' ' ILE . 76.5 mt -136.11 153.82 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE1' HG11 ' A' ' 118' ' ' VAL . 67.9 m-85 -117.6 92.68 41.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -75.02 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 44.9 tt0 -113.15 115.9 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 36' ' ' PHE . 69.6 t -141.33 107.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.3 mtp180 -100.64 -166.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -70.52 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 92' ' ' LEU . 69.5 p -95.83 30.9 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.9 p -167.79 123.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.898 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.8 m -131.6 168.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 5.4 ttm-85 -156.19 105.9 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -106.41 169.6 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -136.54 158.77 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.52 ' CZ3' HD11 ' A' ' 63' ' ' ILE . 35.4 p90 -149.17 176.38 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -130.03 162.95 50.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.03 150.48 38.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.04 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -116.96 85.82 18.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 -33.21 4.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 28' ' ' PRO . 23.3 p30 40.19 43.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.44 124.2 0.98 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 mp -53.07 121.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.815 HG21 ' CE1' ' A' ' 61' ' ' TYR . 14.7 mm -70.99 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 26.4 mt -104.88 -21.85 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.96 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.78 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.815 ' CE1' HG21 ' A' ' 58' ' ' ILE . 36.3 m-85 -142.57 172.85 12.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.514 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 45.8 tt0 -137.24 133.17 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -123.01 113.82 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 p -109.86 121.39 45.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.431 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 15.2 p80 -118.45 131.16 56.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.588 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.26 127.76 10.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 HD21 ' CE1' ' A' ' 98' ' ' TYR . 7.6 mt -46.93 137.35 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.705 ' HB2' HG22 ' A' ' 97' ' ' VAL . 38.6 t30 -80.03 4.02 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 70' ' ' THR . 7.1 p -144.37 65.93 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 69' ' ' THR . 1.6 p -160.52 -50.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 70' ' ' THR . 63.4 p 46.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.69 -175.68 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.39 -62.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 p -134.55 -170.95 2.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.43 164.74 23.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.431 ' HB ' ' NE2' ' A' ' 65' ' ' HIS . 18.1 m -76.73 99.14 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.419 HG13 ' CG ' ' A' ' 62' ' ' GLN . 58.8 t -94.89 148.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.5 tt0 -146.32 135.46 22.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -93.91 127.12 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.96 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.8 mt -107.64 170.53 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -76.77 166.93 41.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -2.84 13.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -119.04 34.47 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.21 124.41 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -108.17 -18.57 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.516 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 pt20 -150.2 165.72 32.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -151.04 131.8 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -92.41 134.38 35.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -113.12 115.37 28.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.8 p -116.8 156.72 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.01 53.27 4.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 42' ' ' THR . 2.3 mt -120.85 158.41 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.58 134.49 27.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 163.4 35.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 64.1 51.37 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.626 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.0 m -163.42 -174.47 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.705 HG22 ' HB2' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -135.72 147.72 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.639 ' CE1' HD21 ' A' ' 67' ' ' LEU . 62.1 m-85 -127.24 137.06 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 99' ' ' LEU . 1.1 tm? -91.39 109.04 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.451 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 23.0 m-85 -94.05 112.25 24.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.9 ttp180 -105.89 113.6 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.557 HG22 ' HG3' ' A' ' 31' ' ' PRO . 17.7 mt -99.08 139.71 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 112' ' ' GLU . 4.3 m -148.28 160.15 43.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.6 156.24 26.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 5.9 tt0 -122.24 121.99 38.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' HD13 ' A' ' 58' ' ' ILE . 11.7 p -124.44 -167.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.67 -4.82 39.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -99.55 -40.09 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.63 -141.16 9.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 90.8 m95 -108.95 109.8 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -78.98 -152.43 6.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -50.95 165.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -140.07 139.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.529 ' CG ' HD21 ' A' ' 99' ' ' LEU . 9.8 mt-10 -100.14 123.17 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.549 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -134.83 130.83 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 97' ' ' VAL . 3.7 mt -99.29 148.46 24.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.588 HG11 ' CE1' ' A' ' 36' ' ' PHE . 5.0 p -149.46 129.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.6 HG22 ' HB ' ' A' ' 97' ' ' VAL . 25.4 t -90.35 147.21 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 8.5 p -100.33 117.28 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 3.1 t -178.72 170.1 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.95 -20.97 18.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 113.09 14.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 162.37 27.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 m -116.61 -61.74 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.07 159.27 11.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.17 24.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.5 m -80.43 -56.79 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.3 t 54.21 95.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m 61.61 169.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -177.17 171.09 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.93 143.76 4.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 171.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.27 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.19 29.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 150.88 41.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mm -105.26 129.64 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.29 129.21 1.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -171.69 170.57 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 170.0 42.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.69 86.12 1.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.85 30.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.47 167.57 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -136.99 147.8 60.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.25 41.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.85 42.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 19' ' ' ILE . 59.0 mt -84.91 58.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' ILE . 24.2 tp 39.16 -106.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 65.58 116.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -124.3 89.94 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -76.5 -56.81 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.2 145.82 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.24 166.38 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.2 156.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 108' ' ' LYS . 5.6 m -40.74 159.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.04 169.25 23.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.93 -168.66 45.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.1 Cg_endo -75.06 135.33 18.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.91 108.1 2.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -88.8 162.75 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 45.87 4.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.6 mm -92.12 120.82 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 47' ' ' ILE . 96.5 mt -144.59 150.22 37.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 83.8 m-85 -114.35 88.71 15.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.697 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.99 -40.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' N ' HH21 ' A' ' 45' ' ' ARG . 27.6 tt0 -119.54 117.92 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 67.6 t -143.19 118.09 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.8 mmt180 -109.35 -167.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.6 OUTLIER -73.6 -77.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 94' ' ' PRO . 43.5 p -92.8 29.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ARG . 15.6 t -170.01 146.57 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.9 m -152.38 170.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.505 HH21 ' N ' ' A' ' 38' ' ' GLU . 9.0 ttp180 -155.62 113.99 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -108.03 170.49 7.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.697 HD12 ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -140.28 127.38 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.662 ' HB3' HD13 ' A' ' 102' ' ' ILE . 24.5 p90 -117.94 -175.29 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -136.63 162.39 56.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 150.01 37.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -75.0 123.72 8.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.89 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -117.28 85.49 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER 41.1 42.87 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.14 132.52 1.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -60.6 112.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.825 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -57.68 136.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.2 mt -110.46 -23.19 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.1 -170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.825 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.7 m-85 -142.38 171.46 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 38.6 tt0 -136.06 137.95 41.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -129.13 111.49 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 77' ' ' VAL . 17.9 p -106.0 128.27 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.442 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 23.8 p80 -123.37 139.52 53.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -161.86 152.37 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.849 HD21 ' CE1' ' A' ' 98' ' ' TYR . 10.0 mt -74.63 109.17 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 70' ' ' THR . 58.2 p -132.06 -159.54 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.647 HG21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 53.98 174.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.456 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' THR . 69.5 p -37.09 130.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.58 136.47 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -166.16 95.15 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.49 ' O ' ' O ' ' A' ' 73' ' ' ASN . 24.7 p 49.66 172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -129.41 124.97 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 20.1 m -63.43 94.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 64' ' ' THR . 68.9 t -83.43 144.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.48 134.01 37.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -96.36 129.22 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.945 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 1.8 mt -110.33 172.28 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.27 167.88 31.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.92 -0.0 9.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -123.99 32.52 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.79 112.95 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.16 -23.41 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 2.9 mp0 -128.05 175.2 8.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.622 ' CD2' HG21 ' A' ' 63' ' ' ILE . 36.6 t80 -161.11 147.91 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -111.42 127.49 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.59 124.54 50.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.0 p -126.49 152.4 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.76 56.48 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -121.95 165.5 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.8 ttmm -99.41 131.74 24.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 158.57 42.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 65.39 46.15 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.4 m -153.26 -179.1 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 119' ' ' VAL . 4.6 t -123.09 138.82 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.849 ' CE1' HD21 ' A' ' 67' ' ' LEU . 19.9 m-85 -126.05 131.46 52.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 100' ' ' PHE . 1.3 tm? -94.85 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.6 m-85 -100.33 112.74 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.486 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 4.7 ttp180 -102.59 112.61 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.844 HD11 HD11 ' A' ' 46' ' ' LEU . 17.7 mt -97.76 137.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.4 m -147.35 160.0 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.618 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -112.71 160.6 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 40.1 tt0 -124.28 119.5 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -123.15 -168.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.66 -17.99 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.549 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.7 mmmm -86.81 -41.82 13.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.28 -141.34 9.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 105' ' ' GLN . 91.3 m95 -105.53 111.44 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -79.53 -151.19 6.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.63 163.49 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -137.74 138.7 39.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . . . -94.79 121.42 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 101' ' ' ARG . 5.4 mt-10 -99.62 125.54 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.558 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -137.58 123.63 20.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -90.24 148.09 23.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 6.3 p -149.79 128.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.924 HG22 HG22 ' A' ' 97' ' ' VAL . 2.7 t -86.41 152.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 41' ' ' THR . 1.8 p -105.37 112.94 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.472 HG22 HG12 ' A' ' 119' ' ' VAL . 3.7 t -176.58 169.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -91.69 -28.29 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.3 145.9 39.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 120.19 19.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.73 106.04 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -168.78 102.1 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.6 m -98.68 145.61 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.52 170.63 9.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p 54.41 170.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.05 169.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.22 40.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -171.56 166.45 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.46 168.93 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.53 118.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.097 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -162.91 147.01 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mm 62.24 147.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.74 -65.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 60.43 164.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.71 91.2 0.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.04 113.02 1.59 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.02 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t 60.83 169.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -153.73 151.24 24.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.19 39.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 127.7 10.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 19' ' ' ILE . 20.9 mm -82.78 140.08 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.24 66.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -141.02 81.19 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.3 104.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -65.13 -45.88 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.83 124.43 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.94 130.88 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.57 143.7 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG13 ' HB3' ' A' ' 108' ' ' LYS . 11.3 m -41.09 159.25 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.01 164.24 33.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.549 1.815 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -168.4 38.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.99 138.14 22.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.645 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 108.49 2.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -88.85 161.32 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 89.04 42.8 5.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.645 HD11 ' O ' ' A' ' 31' ' ' PRO . 6.0 mm -88.8 97.43 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.8 mm? -121.38 151.34 40.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 67.2 m-85 -115.36 91.96 30.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.598 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.97 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ARG . 31.1 tt0 -113.88 116.53 29.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 36' ' ' PHE . 59.7 t -140.34 108.9 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' SER . 12.3 mtp180 -99.1 -168.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -74.72 -76.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 p -89.58 25.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 2.9 m -168.45 148.09 4.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.3 m -150.54 172.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 6.9 ttm180 -158.27 107.69 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -107.24 169.62 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.7 147.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.582 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.9 p90 -137.31 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -131.75 162.61 55.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.99 152.51 40.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.4 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.09 -30.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . -117.29 84.45 17.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.92 2.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 45.85 44.67 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.61 137.69 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -61.59 128.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.787 HG21 ' CE1' ' A' ' 61' ' ' TYR . 39.0 mm -72.54 126.16 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 3.7 mp -93.43 -27.18 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.2 -170.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.787 ' CE1' HG21 ' A' ' 58' ' ' ILE . 25.9 m-85 -138.93 169.57 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 22.5 tp60 -132.75 129.1 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -125.81 114.18 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 128.02 56.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.454 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 1.3 p80 -118.24 123.33 45.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -137.63 143.63 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.789 ' HB2' HG21 ' A' ' 70' ' ' THR . 6.9 mt -72.47 117.06 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.716 ' CB ' HG22 ' A' ' 97' ' ' VAL . 7.7 t-20 -49.66 -34.44 18.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.467 HG22 ' OD1' ' A' ' 68' ' ' ASN . 19.5 p -132.21 103.89 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.789 HG21 ' HB2' ' A' ' 67' ' ' LEU . 15.3 t -175.74 -153.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.5 p -133.3 -105.48 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' THR . . . 70.25 -167.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.516 ' O ' HG23 ' A' ' 74' ' ' THR . 10.3 p-10 -107.24 -37.93 6.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 73' ' ' ASN . 20.7 p -157.09 -166.22 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . . . -109.41 153.05 24.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.454 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 52.7 m -75.43 98.85 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.454 HG13 ' NE2' ' A' ' 62' ' ' GLN . 75.3 t -90.45 125.68 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -131.86 131.06 42.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.01 144.14 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.952 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mt -123.11 172.21 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -83.25 166.85 32.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 0.25 9.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 30.47 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CZ2' ' A' ' 48' ' ' TRP . . . -106.26 105.38 15.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -14.79 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -147.24 179.68 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.585 ' HD1' HD21 ' A' ' 80' ' ' LEU . 23.6 t80 -158.49 151.66 22.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -111.47 129.22 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.77 119.26 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 p -123.54 154.85 38.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 56.83 3.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 98' ' ' TYR . 1.9 mt -123.93 169.32 11.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -101.15 136.34 19.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.01 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.08 52.69 14.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 92.5 p -153.71 -171.24 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.716 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -137.12 135.7 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.733 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.5 m-85 -123.49 129.84 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.555 HD23 ' HG ' ' A' ' 117' ' ' LEU . 1.5 tm? -89.11 116.64 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 46' ' ' LEU . 19.4 m-85 -99.42 111.88 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.485 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 5.7 ttp180 -102.11 109.16 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD11 HD11 ' A' ' 46' ' ' LEU . 39.0 mt -97.59 136.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 112' ' ' GLU . 3.9 m -148.35 163.14 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . . . -116.69 155.34 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 1.2 tt0 -119.62 122.58 41.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.7 -167.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -0.27 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HB3' HG13 ' A' ' 27' ' ' VAL . 1.3 mppt? -101.54 -46.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.69 -119.76 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 93.6 m95 -128.31 111.39 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -74.98 -156.23 5.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -47.84 173.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -146.51 131.52 18.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.58 119.76 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.552 ' HB3' HD21 ' A' ' 99' ' ' LEU . 14.8 mt-10 -100.73 122.94 44.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -135.14 122.16 21.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -92.8 135.77 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 2.9 p -133.53 122.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 96' ' ' SER . 13.7 t -81.46 145.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.438 ' O ' ' HB ' ' A' ' 121' ' ' THR . 69.9 p -94.26 117.17 29.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 120' ' ' THR . 2.9 t -179.12 170.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.27 106.7 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 172.11 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -93.33 133.98 36.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.0 m -70.29 156.91 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 152.19 80.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.75 17.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.32 143.93 27.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 t 64.63 167.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.78 147.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 109.958 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -177.9 159.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.78 163.34 12.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -176.17 142.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -175.73 160.32 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.64 -168.33 33.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -136.27 164.36 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 pt -81.02 167.86 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.19 -153.49 8.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 178.79 145.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.58 137.02 3.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -172.77 85.47 0.42 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.38 27.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.2 t -150.76 93.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -139.02 147.46 53.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.629 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 166.5 29.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.35 132.39 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -146.41 111.4 5.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.08 144.51 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.01 109.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -70.47 -58.22 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.85 141.56 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.61 166.35 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 152.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m -40.72 158.93 0.16 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.0 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.808 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.43 -167.12 41.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.4 Cg_endo -74.98 137.31 21.59 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HG3' HG22 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.95 107.56 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -90.33 167.71 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.29 48.21 5.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 116' ' ' ALA . 9.4 mm -93.53 114.24 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 47' ' ' ILE . 89.2 mt -134.29 151.31 51.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 69.3 m-85 -114.98 92.14 29.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -75.0 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ARG . 33.7 tt0 -113.94 115.97 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 HG11 ' CG2' ' A' ' 118' ' ' VAL . 61.1 t -140.62 116.58 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' SER . 1.1 mtp-105 -110.56 -165.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 120' ' ' THR . 0.7 OUTLIER -72.16 -82.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.6 p -90.28 26.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.2 m -164.08 135.88 4.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.4 m -144.58 170.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' GLU . 10.4 ttm180 -157.94 108.23 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -107.83 169.53 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -137.21 142.05 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.595 ' HB3' HD13 ' A' ' 102' ' ' ILE . 31.5 p90 -131.25 178.89 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -133.3 161.49 63.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 153.42 41.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.02 121.38 6.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.45 -29.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.76 84.92 16.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.66 3.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER 40.08 41.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.75 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -62.18 108.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.809 HG21 ' CE1' ' A' ' 61' ' ' TYR . 44.7 mm -53.76 131.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 24.9 mt -105.43 -22.69 12.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 174.45 -170.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.809 ' CE1' HG21 ' A' ' 58' ' ' ILE . 30.1 m-85 -141.17 173.1 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' CG ' HG13 ' A' ' 77' ' ' VAL . 14.3 tt0 -135.69 134.05 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.733 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.23 121.19 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.512 ' CG2' HG22 ' A' ' 77' ' ' VAL . 4.2 p -117.02 133.85 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.582 ' CE1' ' HB ' ' A' ' 76' ' ' THR . 1.2 p80 -117.27 130.77 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -155.57 134.54 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.771 HD21 ' CE1' ' A' ' 98' ' ' TYR . 12.1 mt -61.92 137.17 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.707 ' CB ' HG22 ' A' ' 97' ' ' VAL . 62.8 t30 -78.23 1.45 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 70' ' ' THR . 15.6 p -142.51 78.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 69' ' ' THR . 1.2 p -159.62 -177.3 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 71' ' ' THR . 0.8 OUTLIER -78.47 1.42 22.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.14 -93.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 t30 70.9 -63.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -160.92 165.69 29.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 74' ' ' THR . . . -129.14 130.11 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 65' ' ' HIS . 91.6 m -63.36 94.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG22 ' CG2' ' A' ' 64' ' ' THR . 69.0 t -82.51 146.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -141.48 134.62 29.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 1.8 t -94.2 130.72 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.973 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 2.4 mt -113.13 172.61 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -78.79 167.03 38.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 p -121.52 34.02 5.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.19 114.47 28.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.2 mmm180 -97.87 -22.65 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.484 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 1.7 pt20 -144.27 163.73 32.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.576 ' CB ' HD13 ' A' ' 63' ' ' ILE . 2.9 t80 -147.13 138.69 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.8 m -93.87 129.49 40.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.908 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -111.56 115.15 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -119.88 164.67 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.47 51.31 12.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' TYR . 1.2 mt -119.47 159.3 24.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -92.66 133.51 29.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.26 35.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 63.68 43.03 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.584 ' HB3' HD22 ' A' ' 67' ' ' LEU . 13.3 m -155.67 179.08 9.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -123.14 137.24 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.771 ' CE1' HD21 ' A' ' 67' ' ' LEU . 24.6 m-85 -122.68 122.07 37.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -79.11 141.02 37.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 46' ' ' LEU . 16.9 m-85 -120.49 110.08 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.483 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 2.1 ttp180 -99.15 107.9 20.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 48' ' ' TRP . 22.8 mt -98.33 137.98 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 112' ' ' GLU . 2.8 m -148.34 159.46 43.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -115.95 156.0 27.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 4.5 tt0 -120.56 124.04 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 58' ' ' ILE . 7.2 p -123.81 -168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.01 -8.57 56.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.65 -45.57 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.53 -145.16 12.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.1 m95 -105.5 120.25 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.68 -157.58 27.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 103' ' ' THR . 1.6 tt0 -48.36 171.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.94 133.97 30.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -93.07 117.94 30.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 99' ' ' LEU . 22.7 mt-10 -96.65 121.18 38.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -130.17 123.12 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.535 ' HG ' HD12 ' A' ' 99' ' ' LEU . 1.2 mt -93.61 146.51 23.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 p -147.66 127.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 96' ' ' SER . 9.3 t -87.57 144.32 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.424 ' O ' ' HB ' ' A' ' 121' ' ' THR . 11.8 p -100.82 116.3 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 120' ' ' THR . 5.1 t -176.95 168.84 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -104.54 103.96 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -118.07 105.89 12.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -83.62 91.74 7.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.1 -66.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 122.12 178.56 15.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.28 4.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.24 168.91 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.06 -59.5 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.14 141.04 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.56 142.26 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.31 70.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -117.18 141.77 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 m -86.63 79.2 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.48 -160.46 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -142.36 113.0 7.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.56 91.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.16 138.49 32.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t70 178.75 141.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.76 124.57 5.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.94 94.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 77.1 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.55 162.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -110.6 118.82 47.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.36 42.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.44 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.812 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.9 mm -59.3 137.79 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.17 103.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 151.68 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -145.19 99.64 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -70.18 -43.22 71.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.87 -177.79 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -172.19 150.81 2.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 171.63 154.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -40.74 159.36 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.72 -168.58 26.39 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.575 1.172 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.04 134.8 18.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.633 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -87.87 160.58 17.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.65 40.4 5.01 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 31' ' ' PRO . 4.7 mm -86.73 121.68 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.641 ' HB2' HD11 ' A' ' 47' ' ' ILE . 81.6 mt -147.43 149.65 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 84.3 m-85 -113.84 91.41 21.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.4 Cg_endo -74.98 -49.7 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 35.5 tt0 -113.35 117.65 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 36' ' ' PHE . 53.7 t -140.94 125.91 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.4 mtp180 -120.47 -168.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -70.69 -81.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.1 p -89.89 28.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.0 t -167.12 144.25 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 89' ' ' ALA . 2.0 m -151.97 171.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -157.09 116.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -114.69 169.64 8.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.8 136.78 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.663 ' HB3' HD13 ' A' ' 102' ' ' ILE . 25.0 p90 -128.32 -172.42 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -142.88 162.18 45.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.95 152.45 41.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.2 Cg_endo -75.0 124.98 9.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 -29.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.26 85.71 16.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 39.99 42.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.55 128.33 1.03 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.77 111.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.763 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.893 HG21 ' CE1' ' A' ' 61' ' ' TYR . 47.5 mm -57.35 134.01 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 27.2 mt -106.28 -23.42 12.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.923 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 175.39 -170.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.893 ' CE1' HG21 ' A' ' 58' ' ' ILE . 32.2 m-85 -143.56 173.97 11.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 36.9 tt0 -138.11 133.85 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.641 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.75 108.18 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.836 HG22 ' HB ' ' A' ' 77' ' ' VAL . 17.0 p -99.19 163.88 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -157.57 134.37 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -161.2 132.38 5.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 98' ' ' TYR . 0.4 OUTLIER -45.69 125.99 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.653 ' CB ' HG22 ' A' ' 97' ' ' VAL . 49.4 t30 -69.34 -9.61 54.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 68' ' ' ASN . 17.1 p -151.84 92.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.507 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 1.1 t -176.7 179.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -71.66 116.36 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.16 167.66 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 172.61 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -167.16 165.74 15.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' ' 77' ' ' VAL . . . -129.05 117.23 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 m -72.46 87.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -91.62 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.04 135.48 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.77 130.05 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.923 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.0 mt -109.68 171.82 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 168.75 24.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -6.8 18.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.11 36.24 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.8 127.03 48.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -24.91 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . 4.7 pt20 -145.82 164.58 31.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.746 ' HD2' HD21 ' A' ' 80' ' ' LEU . 33.8 t80 -146.0 125.1 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.2 m -90.27 128.45 36.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.724 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -103.36 140.52 37.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -140.98 141.87 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 81.18 55.17 3.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 89' ' ' ALA . 4.3 mt -114.83 173.81 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -97.86 130.02 29.85 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -74.97 175.19 11.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 44.67 45.5 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -153.7 165.62 35.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.653 HG22 ' CB ' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -112.65 138.27 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.695 ' CE1' HD21 ' A' ' 67' ' ' LEU . 6.6 m-85 -121.43 120.14 34.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -79.5 107.71 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 64' ' ' THR . 15.7 m-85 -92.11 112.31 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.461 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 4.3 ttt-85 -104.06 113.05 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 46' ' ' LEU . 18.8 mt -97.89 136.73 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 112' ' ' GLU . 7.0 m -147.8 157.07 43.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.421 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -112.21 156.37 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 tt0 -119.25 123.71 44.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 58' ' ' ILE . 3.6 p -123.91 -168.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -1.83 36.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -102.63 -36.04 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.0 -139.68 8.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 105' ' ' GLN . 88.7 m95 -112.15 110.84 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.05 -152.73 5.94 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -51.8 164.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . . . -139.34 137.48 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -91.1 121.4 32.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.696 ' CG ' HD21 ' A' ' 99' ' ' LEU . 4.7 mt-10 -100.47 123.56 44.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.98 125.47 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' ' 68' ' ' ASN . 1.6 mt -93.57 144.75 25.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 36' ' ' PHE . 7.0 p -145.89 125.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' SER . 7.4 t -84.55 142.8 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 p -97.77 114.54 26.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.5 t -174.46 167.58 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -87.42 -44.82 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 138.8 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -101.83 96.52 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -57.34 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.19 97.62 0.55 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.0 30.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.812 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 80.5 p -128.31 102.6 6.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.52 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -162.7 169.59 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.807 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.46 169.97 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.43 -59.45 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -42.07 136.69 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -150.98 -58.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 -168.41 23.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.9 114.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.35 162.42 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.05 140.14 4.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.13 151.64 23.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.05 179.6 35.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -64.04 119.71 57.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.7 m 61.44 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -120.46 153.37 56.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.44 29.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 177.12 8.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -104.19 136.89 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.24 101.73 4.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -93.72 73.3 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.61 82.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -79.49 -63.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.06 142.07 51.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.98 173.68 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.21 156.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.464 ' HB ' ' CA ' ' A' ' 111' ' ' GLY . 5.4 m -40.66 159.31 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.05 169.05 23.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.39 48.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.3 Cg_endo -75.0 138.02 22.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -92.81 160.83 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 87.95 42.28 6.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.656 ' C ' HD22 ' A' ' 35' ' ' LEU . 5.8 mm -87.74 101.77 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.2 mm? -127.92 160.97 30.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.753 ' CE2' HG11 ' A' ' 118' ' ' VAL . 78.3 m-85 -123.26 93.36 48.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.98 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' ARG . 38.9 tt0 -119.53 112.03 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -140.8 118.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . 22.4 mtp180 -107.48 -163.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -69.77 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 92' ' ' LEU . 18.9 p -87.76 25.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 2.5 p -163.3 117.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 89' ' ' ALA . 3.0 m -128.43 165.74 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.1 ttm180 -149.87 109.31 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.648 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -112.29 168.86 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.73 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -132.84 171.54 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CZ3' ' HA ' ' A' ' 86' ' ' GLN . 36.3 p90 -161.95 176.88 10.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -133.15 161.65 62.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -74.98 152.61 41.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -41.22 -29.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.58 85.44 16.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -34.34 3.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER 40.04 45.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.64 132.46 1.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -63.23 107.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.751 HG21 ' CE1' ' A' ' 61' ' ' TYR . 42.8 mm -51.95 134.47 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 32.9 mt -109.79 -24.14 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.91 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 176.39 -170.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.751 ' CE1' HG21 ' A' ' 58' ' ' ILE . 31.6 m-85 -143.01 174.3 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 18.2 tt0 -140.47 139.68 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.802 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -131.18 114.9 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.628 HG22 HG22 ' A' ' 77' ' ' VAL . 25.6 p -108.15 128.4 54.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -125.04 134.3 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.77 144.13 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 98' ' ' TYR . 10.0 mt -61.38 124.51 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.401 ' C ' ' CG2' ' A' ' 69' ' ' THR . 19.5 t30 -63.08 -19.35 64.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' THR . 7.9 p -146.96 97.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -179.87 176.3 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 14.5 p -80.22 -110.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 71' ' ' THR . . . 74.77 171.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.41 ' C ' HG23 ' A' ' 74' ' ' THR . 8.3 t-20 -104.93 -43.02 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 73' ' ' ASN . 46.0 p -150.89 -164.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.77 145.23 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.2 m -80.99 103.82 11.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 64' ' ' THR . 48.0 t -92.49 136.57 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -131.88 136.06 47.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 t -96.69 130.36 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.91 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.08 172.76 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -80.71 168.17 27.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.07 -4.59 15.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 m -116.95 34.12 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.72 126.98 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -25.76 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.694 ' HB3' HG22 ' A' ' 47' ' ' ILE . 1.9 pt20 -146.06 157.37 43.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.691 ' CD2' HG21 ' A' ' 63' ' ' ILE . 22.1 t80 -139.77 125.88 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.9 m -89.03 129.28 35.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -107.37 154.0 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 89' ' ' ALA . 33.1 p -155.71 152.89 29.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.16 64.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -70.02 159.48 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 18.9 ttmt -92.71 132.79 30.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -74.94 154.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 67.12 43.86 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.6 m -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 119' ' ' VAL . 2.6 t -127.29 134.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.735 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.7 m-85 -122.73 139.3 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 99' ' ' LEU . 1.1 tm? -95.62 117.6 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.482 ' CE1' ' CG1' ' A' ' 118' ' ' VAL . 18.4 m-85 -100.03 112.24 24.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HD3' ' CG ' ' A' ' 115' ' ' GLU . 6.3 ttp180 -104.29 112.25 25.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.462 HD11 HD11 ' A' ' 46' ' ' LEU . 22.8 mt -98.38 137.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.6 m -147.52 157.45 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' O ' ' CE3' ' A' ' 110' ' ' TRP . . . -108.42 162.1 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 52.3 tt0 -124.04 118.69 27.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -123.67 -169.02 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.29 -17.27 59.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 27' ' ' VAL . 13.7 mmmm -86.19 -35.11 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.2 -137.19 7.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 104' ' ' ALA . 94.2 m95 -110.99 111.15 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 27' ' ' VAL . . . -75.87 -159.51 8.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 103' ' ' THR . 1.0 OUTLIER -47.38 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 101' ' ' ARG . . . -141.08 133.2 27.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.82 122.39 33.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 99' ' ' LEU . 7.7 mt-10 -101.06 124.14 46.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -136.18 133.43 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD22 HG12 ' A' ' 97' ' ' VAL . 3.7 mt -98.27 148.14 23.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 36' ' ' PHE . 7.2 p -152.07 121.23 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 97' ' ' VAL . 3.1 t -80.32 153.25 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 41' ' ' THR . 11.4 p -104.17 114.69 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 t -176.57 171.51 2.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.03 -27.66 16.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -79.38 173.1 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -61.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.5 t -163.31 164.27 24.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.92 85.8 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.23 17.61 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -120.05 96.07 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.06 121.28 19.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.85 135.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -175.28 166.94 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.32 139.35 2.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -176.21 117.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.39 105.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.63 101.62 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -147.87 94.1 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 pt -126.82 165.24 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.8 93.45 2.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 177.64 163.14 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.12 66.11 1.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -179.18 92.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.18 113.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -125.24 153.1 71.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.01 154.46 42.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.97 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mp -66.12 164.16 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.4 tp -68.69 -130.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.57 178.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 64.45 20.36 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.2 p -95.83 97.16 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -168.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.72 95.66 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.48 153.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 108' ' ' LYS . 3.4 m -64.89 160.52 54.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.81 -166.41 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' CA ' ' HB3' ' A' ' 112' ' ' GLU . 18.2 Cg_endo -75.01 133.66 16.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CG ' HG22 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 108.66 2.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -92.17 163.95 13.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.08 50.87 3.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.699 HG21 ' HB2' ' A' ' 116' ' ' ALA . 6.5 mm -96.99 104.27 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 47' ' ' ILE . 81.0 mt -122.76 149.8 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 118' ' ' VAL . 70.8 m-85 -113.65 92.71 25.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' HD3' HD12 ' A' ' 47' ' ' ILE . 18.3 Cg_endo -74.97 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -119.69 117.75 29.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 118' ' ' VAL . 50.1 t -139.53 117.23 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.6 mtp180 -109.03 -164.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -72.21 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.596 HG22 ' HD3' ' A' ' 94' ' ' PRO . 68.8 p -82.03 8.92 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 29.5 m -144.4 142.73 30.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 89' ' ' ALA . 1.3 m -150.31 170.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -157.33 117.82 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -117.84 169.39 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -138.11 132.22 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.612 ' HB3' HD13 ' A' ' 102' ' ' ILE . 29.3 p90 -120.24 -178.72 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -136.09 162.34 57.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.04 152.16 40.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 50' ' ' PRO . 18.3 Cg_endo -74.94 122.41 7.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.2 -27.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -116.69 84.76 15.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 1.8 m-80 40.03 42.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.39 127.14 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.35 134.83 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 0.8 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.861 HG21 ' CE1' ' A' ' 61' ' ' TYR . 8.1 mm -83.76 126.47 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -95.36 -19.91 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.866 ' HB1' ' O ' ' A' ' 80' ' ' LEU . . . 171.61 -172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.861 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.1 m-85 -139.05 174.21 10.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.664 ' NE2' HG21 ' A' ' 77' ' ' VAL . 40.8 tt0 -138.63 132.32 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.01 106.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.836 HG22 ' HB ' ' A' ' 77' ' ' VAL . 7.1 p -101.08 124.11 46.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -114.59 140.37 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 4.4 ptt180 -161.67 154.57 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.883 HD21 ' CE1' ' A' ' 98' ' ' TYR . 8.6 mt -79.45 111.23 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -39.81 -30.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 70' ' ' THR . 51.0 p -131.27 -160.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.527 HG21 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER 50.56 176.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 70' ' ' THR . 68.9 p -95.5 156.13 16.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 74' ' ' THR . . . -171.78 126.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -54.9 92.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 73' ' ' ASN . 18.6 p 47.96 178.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 66' ' ' ARG . . . -104.79 111.07 23.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 m -68.1 96.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 64' ' ' THR . 0.9 OUTLIER -89.38 148.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -128.12 135.64 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.05 130.86 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.866 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 3.1 mt -110.35 172.48 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -79.48 166.65 39.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -2.93 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -118.86 33.08 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.62 121.87 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -108.4 -5.97 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' C ' ' CZ3' ' A' ' 48' ' ' TRP . 12.6 pt20 -154.52 170.39 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' HD1' HD21 ' A' ' 80' ' ' LEU . 31.1 t80 -156.29 146.78 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.2 m -103.45 130.03 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.913 ' HB3' HG22 ' A' ' 44' ' ' VAL . . . -110.51 124.57 52.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 p -133.14 152.65 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.99 44.19 6.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 1.8 mt -110.73 176.11 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.478 ' NZ ' ' HB3' ' A' ' 96' ' ' SER . 0.0 OUTLIER -109.84 134.79 20.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.96 149.84 37.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' PRO . 2.2 mt-10 69.57 55.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 67' ' ' LEU . 21.8 p -152.15 -170.55 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 119' ' ' VAL . 84.4 t -136.55 102.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.883 ' CE1' HD21 ' A' ' 67' ' ' LEU . 35.1 m-85 -96.61 140.02 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -107.99 131.58 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HE2' HG11 ' A' ' 118' ' ' VAL . 21.8 m-85 -110.5 113.49 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HD2' ' CG ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -97.69 109.71 22.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 48' ' ' TRP . 23.7 mt -97.02 135.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 112' ' ' GLU . 5.1 m -148.29 152.0 36.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB1' HD12 ' A' ' 58' ' ' ILE . . . -106.84 154.78 20.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 110' ' ' TRP . 40.7 tt0 -114.8 124.31 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -122.65 -178.1 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.31 -6.44 43.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HB2' HG13 ' A' ' 27' ' ' VAL . 17.8 mmmt -99.01 -40.31 8.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 153.35 -147.23 16.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 62' ' ' GLN . 90.0 m95 -105.41 119.69 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.54 -156.66 22.96 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 103' ' ' THR . 0.1 OUTLIER -47.76 167.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 102' ' ' ILE . . . -139.46 125.95 20.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.27 120.66 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.72 ' CB ' HD21 ' A' ' 99' ' ' LEU . 26.7 mt-10 -97.12 128.65 44.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.699 ' HB2' HG21 ' A' ' 34' ' ' ILE . . . -132.3 121.36 23.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 99' ' ' LEU . 1.1 mt -93.82 142.65 27.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.613 HG11 ' HE2' ' A' ' 100' ' ' PHE . 9.1 p -148.35 124.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 97' ' ' VAL . 5.0 t -80.78 151.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' THR . 40.2 p -96.39 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.467 HG22 HG12 ' A' ' 119' ' ' VAL . 2.0 t -178.77 169.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.82 106.84 17.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.94 108.87 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -87.13 106.5 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.18 137.69 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.94 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.52 96.28 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.2 7.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.425 1.75 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -176.66 132.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.73 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 stop_ save_